NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15740 |
1ywi   |
6558 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H SER 15 H SER 15 -8.637 -5.247 1.756
2 HA SER 15 HA SER 15 -8.569 -6.683 -0.682
3 1HB SER 15 2HB SER 15 -10.936 -6.429 -1.344
4 2HB SER 15 1HB SER 15 -10.754 -7.506 0.039
5 HG SER 15 HG SER 15 -11.099 -5.326 1.216
6 H MET 16 H MET 16 -8.998 -5.337 -2.548
7 HA MET 16 HA MET 16 -8.730 -3.428 -3.742
8 1HB MET 16 2HB MET 16 -10.506 -2.663 -1.508
9 2HB MET 16 1HB MET 16 -9.738 -1.333 -2.358
10 1HG MET 16 2HG MET 16 -11.918 -1.815 -3.291
11 2HG MET 16 1HG MET 16 -10.646 -2.142 -4.467
12 1HE MET 16 1HE MET 16 -13.261 -4.874 -5.402
13 2HE MET 16 2HE MET 16 -12.262 -3.541 -5.982
14 3HE MET 16 3HE MET 16 -13.598 -3.224 -4.877
15 H TRP 17 H TRP 17 -6.456 -3.514 -3.556
16 HA TRP 17 HA TRP 17 -5.346 -1.368 -1.875
17 1HB TRP 17 2HB TRP 17 -3.936 -3.982 -2.435
18 2HB TRP 17 1HB TRP 17 -3.385 -2.682 -1.385
19 HD1 TRP 17 HD TRP 17 -6.065 -5.447 -1.533
20 HE1 TRP 17 1HE TRP 17 -6.760 -6.020 0.877
21 HE3 TRP 17 3HE TRP 17 -3.443 -1.821 0.958
22 HZ2 TRP 17 2HZ TRP 17 -6.264 -5.068 3.485
23 HZ3 TRP 17 3HZ TRP 17 -3.609 -1.730 3.410
24 HH2 TRP 17 HH TRP 17 -4.991 -3.318 4.646
25 H THR 18 H THR 18 -3.259 -0.550 -2.668
26 HA THR 18 HA THR 18 -2.905 -0.924 -5.571
27 HB THR 18 HB THR 18 -2.476 1.397 -5.901
28 HG1 THR 18 1HG THR 18 -2.453 2.856 -4.129
29 1HG2 THR 18 1HG2 THR 18 -4.855 0.798 -5.810
30 2HG2 THR 18 2HG2 THR 18 -4.583 2.445 -5.241
31 3HG2 THR 18 3HG2 THR 18 -4.874 1.149 -4.081
32 H GLU 19 H GLU 19 -0.794 -1.016 -6.301
33 HA GLU 19 HA GLU 19 1.232 -1.227 -4.185
34 1HB GLU 19 2HB GLU 19 0.842 -3.243 -5.557
35 2HB GLU 19 1HB GLU 19 1.283 -2.335 -6.996
36 1HG GLU 19 2HG GLU 19 3.528 -1.973 -6.037
37 2HG GLU 19 1HG GLU 19 3.072 -2.982 -4.664
38 H HIS 20 H HIS 20 2.694 0.302 -3.995
39 HA HIS 20 HA HIS 20 3.716 1.654 -6.368
40 1HB HIS 20 2HB HIS 20 2.370 3.030 -4.054
41 2HB HIS 20 1HB HIS 20 3.575 3.859 -5.034
42 HD1 HIS 20 1HD HIS 20 2.958 4.210 -7.588
43 HD2 HIS 20 2HD HIS 20 -0.144 2.873 -5.165
44 HE1 HIS 20 1HE HIS 20 0.856 4.595 -8.913
45 HE2 HIS 20 2HE HIS 20 -1.004 3.735 -7.449
46 H LYS 21 H LYS 21 5.766 2.696 -6.021
47 HA LYS 21 HA LYS 21 7.234 1.449 -3.808
48 1HB LYS 21 2HB LYS 21 8.033 0.924 -6.056
49 2HB LYS 21 1HB LYS 21 8.238 2.635 -6.397
50 1HG LYS 21 2HG LYS 21 9.940 2.774 -4.636
51 2HG LYS 21 1HG LYS 21 9.749 1.045 -4.334
52 1HD LYS 21 2HD LYS 21 10.482 0.545 -6.594
53 2HD LYS 21 1HD LYS 21 10.598 2.266 -6.959
54 1HE LYS 21 2HE LYS 21 12.317 2.498 -5.212
55 2HE LYS 21 1HE LYS 21 12.222 0.764 -4.908
56 1HZ LYS 21 1HZ LYS 21 14.077 1.300 -6.348
57 2HZ LYS 21 2HZ LYS 21 13.042 2.033 -7.466
58 3HZ LYS 21 3HZ LYS 21 12.941 0.368 -7.184
59 H SER 22 H SER 22 7.298 2.754 -2.087
60 HA SER 22 HA SER 22 7.077 5.435 -1.852
61 1HB SER 22 2HB SER 22 7.222 4.074 0.114
62 2HB SER 22 1HB SER 22 8.853 3.554 -0.274
63 HG SER 22 HG SER 22 9.016 5.164 1.240
64 HA PRO 23 HA PRO 23 10.321 7.326 -4.236
65 1HB PRO 23 2HB PRO 23 10.137 9.356 -2.054
66 2HB PRO 23 1HB PRO 23 10.127 9.583 -3.808
67 1HG PRO 23 2HG PRO 23 7.868 9.746 -2.426
68 2HG PRO 23 1HG PRO 23 7.902 8.945 -4.009
69 1HD PRO 23 2HD PRO 23 7.770 7.747 -1.280
70 2HD PRO 23 1HD PRO 23 7.021 7.199 -2.793
71 H ASP 24 H ASP 24 10.602 7.184 -0.697
72 HA ASP 24 HA ASP 24 13.330 7.731 -0.492
73 1HB ASP 24 2HB ASP 24 11.666 5.890 1.241
74 2HB ASP 24 1HB ASP 24 13.232 6.567 1.677
75 H GLY 25 H GLY 25 11.642 4.872 -1.483
76 1HA GLY 25 2HA GLY 25 12.965 3.425 -3.013
77 2HA GLY 25 1HA GLY 25 14.232 3.480 -1.794
78 H ARG 26 H ARG 26 10.775 3.154 -1.223
79 HA ARG 26 HA ARG 26 11.242 0.404 -0.258
80 1HB ARG 26 2HB ARG 26 9.224 2.151 1.079
81 2HB ARG 26 1HB ARG 26 10.108 0.778 1.725
82 1HG ARG 26 2HG ARG 26 11.309 3.474 1.138
83 2HG ARG 26 1HG ARG 26 10.759 2.938 2.725
84 1HD ARG 26 2HD ARG 26 12.934 1.653 1.076
85 2HD ARG 26 1HD ARG 26 13.175 2.679 2.488
86 HE ARG 26 HE ARG 26 11.526 0.374 2.985
87 1HH1 ARG 26 1HH1 ARG 26 14.785 1.604 2.869
88 2HH1 ARG 26 2HH1 ARG 26 15.415 0.399 3.942
89 1HH2 ARG 26 1HH2 ARG 26 12.349 -1.219 4.397
90 2HH2 ARG 26 2HH2 ARG 26 14.031 -1.207 4.807
91 H THR 27 H THR 27 9.147 -0.824 -0.001
92 HA THR 27 HA THR 27 7.374 -0.187 -2.264
93 HB THR 27 HB THR 27 7.783 -2.840 -0.867
94 HG1 THR 27 1HG THR 27 9.102 -1.591 -2.923
95 1HG2 THR 27 1HG2 THR 27 6.223 -2.125 -3.353
96 2HG2 THR 27 2HG2 THR 27 5.545 -2.639 -1.808
97 3HG2 THR 27 3HG2 THR 27 6.510 -3.762 -2.766
98 H TYR 28 H TYR 28 5.681 0.977 -1.509
99 HA TYR 28 HA TYR 28 4.376 0.036 0.956
100 1HB TYR 28 2HB TYR 28 3.787 2.210 1.501
101 2HB TYR 28 1HB TYR 28 5.366 2.441 0.759
102 HD1 TYR 28 1HD TYR 28 1.776 3.029 0.448
103 HD2 TYR 28 2HD TYR 28 5.552 3.473 -1.461
104 HE1 TYR 28 1HE TYR 28 0.789 4.654 -1.113
105 HE2 TYR 28 2HE TYR 28 4.576 5.099 -3.026
106 HH TYR 28 HH TYR 28 1.506 6.497 -2.560
107 H TYR 29 H TYR 29 2.027 0.310 1.068
108 HA TYR 29 HA TYR 29 0.711 0.092 -1.555
109 1HB TYR 29 2HB TYR 29 0.300 -1.682 0.858
110 2HB TYR 29 1HB TYR 29 -0.791 -1.644 -0.523
111 HD1 TYR 29 1HD TYR 29 2.724 -2.349 0.455
112 HD2 TYR 29 2HD TYR 29 -0.349 -2.942 -2.426
113 HE1 TYR 29 1HE TYR 29 4.119 -4.028 -0.678
114 HE2 TYR 29 2HE TYR 29 1.036 -4.623 -3.568
115 HH TYR 29 HH TYR 29 3.352 -5.264 -3.779
116 H TYR 30 H TYR 30 -1.409 0.866 -1.666
117 HA TYR 30 HA TYR 30 -2.305 2.390 0.694
118 1HB TYR 30 2HB TYR 30 -1.589 3.975 -0.949
119 2HB TYR 30 1HB TYR 30 -2.440 3.126 -2.232
120 HD1 TYR 30 1HD TYR 30 -2.731 5.540 0.482
121 HD2 TYR 30 2HD TYR 30 -4.895 3.277 -2.402
122 HE1 TYR 30 1HE TYR 30 -4.682 6.997 0.808
123 HE2 TYR 30 2HE TYR 30 -6.853 4.731 -2.081
124 HH TYR 30 HH TYR 30 -7.775 6.234 -0.385
125 H ASN 31 H ASN 31 -4.178 1.752 1.501
126 HA ASN 31 HA ASN 31 -5.807 -0.171 0.115
127 1HB ASN 31 2HB ASN 31 -5.396 -0.253 2.575
128 2HB ASN 31 1HB ASN 31 -6.337 1.224 2.746
129 1HD2 ASN 31 1HD2 ASN 31 -6.452 -2.161 1.919
130 2HD2 ASN 31 2HD2 ASN 31 -8.154 -2.356 2.129
131 H THR 32 H THR 32 -7.236 0.402 -1.375
132 HA THR 32 HA THR 32 -8.376 3.084 -1.344
133 HB THR 32 HB THR 32 -7.487 2.321 -3.470
134 HG1 THR 32 1HG THR 32 -9.605 3.539 -3.266
135 1HG2 THR 32 1HG2 THR 32 -7.798 -0.095 -3.141
136 2HG2 THR 32 2HG2 THR 32 -8.468 0.444 -4.680
137 3HG2 THR 32 3HG2 THR 32 -9.541 0.112 -3.322
138 H GLU 33 H GLU 33 -9.153 0.419 0.221
139 HA GLU 33 HA GLU 33 -12.003 0.358 -0.399
140 1HB GLU 33 2HB GLU 33 -10.802 -1.762 0.015
141 2HB GLU 33 1HB GLU 33 -10.413 -1.216 1.639
142 1HG GLU 33 2HG GLU 33 -12.261 -2.753 1.710
143 2HG GLU 33 1HG GLU 33 -12.806 -1.140 2.171
144 H THR 34 H THR 34 -9.781 1.485 2.022
145 HA THR 34 HA THR 34 -12.018 2.690 3.519
146 HB THR 34 HB THR 34 -9.332 1.835 4.623
147 HG1 THR 34 1HG THR 34 -11.343 0.568 5.788
148 1HG2 THR 34 1HG2 THR 34 -10.378 2.302 6.821
149 2HG2 THR 34 2HG2 THR 34 -11.778 2.970 5.981
150 3HG2 THR 34 3HG2 THR 34 -10.203 3.745 5.825
151 H LYS 35 H LYS 35 -9.239 3.146 1.683
152 HA LYS 35 HA LYS 35 -8.192 4.996 0.897
153 1HB LYS 35 2HB LYS 35 -10.077 6.618 2.616
154 2HB LYS 35 1HB LYS 35 -9.104 7.208 1.275
155 1HG LYS 35 2HG LYS 35 -10.390 5.788 -0.263
156 2HG LYS 35 1HG LYS 35 -11.385 5.250 1.091
157 1HD LYS 35 2HD LYS 35 -11.106 8.116 0.183
158 2HD LYS 35 1HD LYS 35 -12.445 7.048 -0.243
159 1HE LYS 35 2HE LYS 35 -11.671 7.871 2.554
160 2HE LYS 35 1HE LYS 35 -13.013 8.537 1.624
161 1HZ LYS 35 1HZ LYS 35 -14.057 6.381 1.607
162 2HZ LYS 35 2HZ LYS 35 -13.717 6.823 3.204
163 3HZ LYS 35 3HZ LYS 35 -12.744 5.687 2.417
164 H GLN 36 H GLN 36 -6.698 3.802 2.470
165 HA GLN 36 HA GLN 36 -5.498 5.846 4.184
166 1HB GLN 36 2HB GLN 36 -5.080 4.156 5.956
167 2HB GLN 36 1HB GLN 36 -6.788 4.512 5.734
168 1HG GLN 36 2HG GLN 36 -7.051 2.469 4.429
169 2HG GLN 36 1HG GLN 36 -5.335 2.113 4.638
170 1HE2 GLN 36 1HE2 GLN 36 -7.717 0.601 5.453
171 2HE2 GLN 36 2HE2 GLN 36 -7.565 0.368 7.158
172 H SER 37 H SER 37 -3.250 5.314 4.763
173 HA SER 37 HA SER 37 -1.965 3.817 2.584
174 1HB SER 37 2HB SER 37 -0.731 5.884 4.422
175 2HB SER 37 1HB SER 37 -0.002 5.186 2.976
176 HG SER 37 HG SER 37 -0.852 7.150 2.403
177 H THR 38 H THR 38 -0.568 2.162 3.002
178 HA THR 38 HA THR 38 0.088 1.570 5.796
179 HB THR 38 HB THR 38 -1.973 0.301 5.209
180 HG1 THR 38 1HG THR 38 0.024 -0.506 6.524
181 1HG2 THR 38 1HG2 THR 38 -0.154 -1.039 3.200
182 2HG2 THR 38 2HG2 THR 38 -1.570 -0.052 2.838
183 3HG2 THR 38 3HG2 THR 38 -1.761 -1.603 3.651
184 H TRP 39 H TRP 39 1.842 0.099 6.080
185 HA TRP 39 HA TRP 39 3.703 0.073 3.797
186 1HB TRP 39 2HB TRP 39 4.117 0.058 6.781
187 2HB TRP 39 1HB TRP 39 5.389 -0.456 5.683
188 HD1 TRP 39 HD TRP 39 3.987 2.585 7.276
189 HE1 TRP 39 1HE TRP 39 5.137 4.686 6.327
190 HE3 TRP 39 3HE TRP 39 6.350 0.463 3.275
191 HZ2 TRP 39 2HZ TRP 39 6.830 5.347 4.155
192 HZ3 TRP 39 3HZ TRP 39 7.714 1.895 1.811
193 HH2 TRP 39 HH TRP 39 7.953 4.278 2.245
194 H GLU 40 H GLU 40 4.695 -1.765 3.134
195 HA GLU 40 HA GLU 40 5.028 -3.973 2.747
196 1HB GLU 40 2HB GLU 40 5.845 -3.896 5.105
197 2HB GLU 40 1HB GLU 40 4.234 -4.363 5.635
198 1HG GLU 40 2HG GLU 40 5.686 -6.282 5.604
199 2HG GLU 40 1HG GLU 40 4.438 -6.453 4.369
200 H LYS 41 H LYS 41 3.949 -5.799 2.112
201 HA LYS 41 HA LYS 41 1.304 -5.634 1.396
202 1HB LYS 41 2HB LYS 41 2.876 -8.154 1.958
203 2HB LYS 41 1HB LYS 41 1.393 -8.070 1.020
204 1HG LYS 41 2HG LYS 41 2.467 -6.777 -0.685
205 2HG LYS 41 1HG LYS 41 3.931 -6.628 0.289
206 1HD LYS 41 2HD LYS 41 2.812 -9.253 -0.689
207 2HD LYS 41 1HD LYS 41 4.068 -8.340 -1.529
208 1HE LYS 41 2HE LYS 41 5.481 -8.489 0.486
209 2HE LYS 41 1HE LYS 41 4.235 -9.458 1.269
210 1HZ LYS 41 1HZ LYS 41 4.509 -11.132 -0.454
211 2HZ LYS 41 2HZ LYS 41 5.975 -10.845 0.340
212 3HZ LYS 41 3HZ LYS 41 5.708 -10.201 -1.202
213 HA PRO 42 HA PRO 42 -0.766 -6.405 5.276
214 1HB PRO 42 2HB PRO 42 -3.297 -6.299 4.412
215 2HB PRO 42 1HB PRO 42 -2.280 -4.854 4.472
216 1HG PRO 42 2HG PRO 42 -2.994 -6.574 2.133
217 2HG PRO 42 1HG PRO 42 -2.893 -4.808 2.234
218 1HD PRO 42 2HD PRO 42 -0.917 -6.419 1.196
219 2HD PRO 42 1HD PRO 42 -0.639 -4.799 1.865
220 HA PRO 5 HA PRO 5 -1.756 8.072 -7.333
221 1HB PRO 5 2HB PRO 5 0.259 9.839 -6.224
222 2HB PRO 5 1HB PRO 5 0.387 8.754 -7.610
223 1HG PRO 5 2HG PRO 5 0.413 11.474 -7.820
224 2HG PRO 5 1HG PRO 5 -0.160 10.397 -9.108
225 1HD PRO 5 2HD PRO 5 -1.740 11.970 -7.105
226 2HD PRO 5 1HD PRO 5 -2.058 11.698 -8.834
227 HA PRO 6 HA PRO 6 -2.922 8.116 -3.046
228 1HB PRO 6 2HB PRO 6 -1.783 5.838 -2.219
229 2HB PRO 6 1HB PRO 6 -3.140 5.836 -3.351
230 1HG PRO 6 2HG PRO 6 -0.214 5.533 -3.902
231 2HG PRO 6 1HG PRO 6 -1.577 4.615 -4.570
232 1HD PRO 6 2HD PRO 6 -0.349 6.677 -5.886
233 2HD PRO 6 1HD PRO 6 -2.046 6.224 -6.138
234 HA PRO 7 HA PRO 7 0.534 9.850 -0.853
235 1HB PRO 7 2HB PRO 7 -0.854 9.588 1.657
236 2HB PRO 7 1HB PRO 7 -0.637 11.036 0.674
237 1HG PRO 7 2HG PRO 7 -3.053 9.795 1.084
238 2HG PRO 7 1HG PRO 7 -2.680 10.821 -0.310
239 1HD PRO 7 2HD PRO 7 -2.725 7.834 -0.105
240 2HD PRO 7 1HD PRO 7 -3.255 8.889 -1.437
241 H LEU 8 H LEU 8 2.242 9.235 0.452
242 HA LEU 8 HA LEU 8 2.510 6.412 0.927
243 1HB LEU 8 2HB LEU 8 4.396 7.625 0.094
244 2HB LEU 8 1HB LEU 8 4.294 8.798 1.393
245 HG LEU 8 HG LEU 8 4.775 6.677 2.897
246 1HD1 LEU 8 1HD1 LEU 8 6.601 5.488 1.304
247 2HD1 LEU 8 2HD1 LEU 8 5.301 5.794 0.152
248 3HD1 LEU 8 3HD1 LEU 8 4.988 4.853 1.612
249 1HD2 LEU 8 1HD2 LEU 8 7.174 7.190 2.719
250 2HD2 LEU 8 2HD2 LEU 8 6.185 8.648 2.790
251 3HD2 LEU 8 3HD2 LEU 8 6.855 8.112 1.250
252 HA PRO 9 HA PRO 9 1.342 6.541 5.229
253 1HB PRO 9 2HB PRO 9 2.705 4.070 5.759
254 2HB PRO 9 1HB PRO 9 0.981 4.332 5.515
255 1HG PRO 9 2HG PRO 9 2.610 2.948 3.779
256 2HG PRO 9 1HG PRO 9 1.078 3.713 3.328
257 1HD PRO 9 2HD PRO 9 3.873 4.681 2.925
258 2HD PRO 9 1HD PRO 9 2.462 4.825 1.856
259 HA PRO 10 HA PRO 10 4.903 8.081 7.386
260 1HB PRO 10 2HB PRO 10 3.588 7.396 9.920
261 2HB PRO 10 1HB PRO 10 4.001 8.983 9.270
262 1HG PRO 10 2HG PRO 10 1.452 8.128 9.441
263 2HG PRO 10 1HG PRO 10 2.010 9.183 8.129
264 1HD PRO 10 2HD PRO 10 1.531 6.226 8.109
265 2HD PRO 10 1HD PRO 10 1.133 7.440 6.874
Start of MODEL 2
1 H SER 15 H SER 15 -9.957 -7.580 -2.338
2 HA SER 15 HA SER 15 -7.085 -7.262 -2.864
3 1HB SER 15 2HB SER 15 -7.921 -9.059 -4.317
4 2HB SER 15 1HB SER 15 -9.187 -7.991 -4.921
5 HG SER 15 HG SER 15 -7.139 -8.225 -6.186
6 H MET 16 H MET 16 -8.076 -5.275 -1.635
7 HA MET 16 HA MET 16 -8.793 -3.283 -3.683
8 1HB MET 16 2HB MET 16 -9.602 -3.303 -0.768
9 2HB MET 16 1HB MET 16 -10.002 -2.052 -1.934
10 1HG MET 16 2HG MET 16 -10.902 -4.920 -2.048
11 2HG MET 16 1HG MET 16 -11.881 -3.545 -1.539
12 1HE MET 16 1HE MET 16 -13.778 -4.188 -3.247
13 2HE MET 16 2HE MET 16 -12.846 -5.589 -3.774
14 3HE MET 16 3HE MET 16 -13.505 -4.469 -4.966
15 H TRP 17 H TRP 17 -6.249 -3.553 -3.599
16 HA TRP 17 HA TRP 17 -5.271 -1.330 -1.948
17 1HB TRP 17 2HB TRP 17 -3.673 -3.857 -2.368
18 2HB TRP 17 1HB TRP 17 -3.289 -2.507 -1.308
19 HD1 TRP 17 HD TRP 17 -5.828 -5.411 -1.583
20 HE1 TRP 17 1HE TRP 17 -6.603 -6.018 0.795
21 HE3 TRP 17 3HE TRP 17 -3.428 -1.721 1.020
22 HZ2 TRP 17 2HZ TRP 17 -6.241 -5.065 3.425
23 HZ3 TRP 17 3HZ TRP 17 -3.693 -1.644 3.466
24 HH2 TRP 17 HH TRP 17 -5.069 -3.281 4.638
25 H THR 18 H THR 18 -3.374 -0.297 -2.774
26 HA THR 18 HA THR 18 -2.932 -0.775 -5.648
27 HB THR 18 HB THR 18 -2.455 1.569 -5.948
28 HG1 THR 18 1HG THR 18 -1.809 1.590 -3.466
29 1HG2 THR 18 1HG2 THR 18 -4.804 0.971 -6.078
30 2HG2 THR 18 2HG2 THR 18 -4.634 2.574 -5.362
31 3HG2 THR 18 3HG2 THR 18 -4.981 1.182 -4.337
32 H GLU 19 H GLU 19 -0.817 -0.787 -6.398
33 HA GLU 19 HA GLU 19 1.206 -1.053 -4.287
34 1HB GLU 19 2HB GLU 19 0.805 -3.018 -5.743
35 2HB GLU 19 1HB GLU 19 1.294 -2.061 -7.135
36 1HG GLU 19 2HG GLU 19 3.514 -1.753 -6.078
37 2HG GLU 19 1HG GLU 19 3.008 -2.843 -4.787
38 H HIS 20 H HIS 20 2.717 0.409 -4.068
39 HA HIS 20 HA HIS 20 3.710 1.884 -6.376
40 1HB HIS 20 2HB HIS 20 2.482 3.164 -3.937
41 2HB HIS 20 1HB HIS 20 3.599 4.025 -4.990
42 HD1 HIS 20 1HD HIS 20 2.756 4.605 -7.389
43 HD2 HIS 20 2HD HIS 20 -0.096 2.840 -4.934
44 HE1 HIS 20 1HE HIS 20 0.555 4.966 -8.549
45 HE2 HIS 20 2HE HIS 20 -1.159 3.895 -7.043
46 H LYS 21 H LYS 21 5.681 3.236 -5.695
47 HA LYS 21 HA LYS 21 7.166 1.713 -3.658
48 1HB LYS 21 2HB LYS 21 8.168 2.915 -6.240
49 2HB LYS 21 1HB LYS 21 9.207 2.217 -5.003
50 1HG LYS 21 2HG LYS 21 8.107 0.057 -5.294
51 2HG LYS 21 1HG LYS 21 7.062 0.756 -6.533
52 1HD LYS 21 2HD LYS 21 9.009 1.242 -7.917
53 2HD LYS 21 1HD LYS 21 10.073 0.591 -6.668
54 1HE LYS 21 2HE LYS 21 9.038 -1.603 -6.919
55 2HE LYS 21 1HE LYS 21 7.948 -0.959 -8.145
56 1HZ LYS 21 1HZ LYS 21 9.867 -0.471 -9.536
57 2HZ LYS 21 2HZ LYS 21 9.812 -2.115 -9.147
58 3HZ LYS 21 3HZ LYS 21 10.909 -1.098 -8.358
59 H SER 22 H SER 22 7.522 2.857 -1.912
60 HA SER 22 HA SER 22 7.282 5.555 -1.518
61 1HB SER 22 2HB SER 22 7.456 4.010 0.339
62 2HB SER 22 1HB SER 22 9.109 3.596 -0.109
63 HG SER 22 HG SER 22 9.814 5.432 0.713
64 HA PRO 23 HA PRO 23 10.637 7.527 -3.585
65 1HB PRO 23 2HB PRO 23 10.718 9.454 -1.349
66 2HB PRO 23 1HB PRO 23 10.377 9.729 -3.059
67 1HG PRO 23 2HG PRO 23 8.431 9.858 -1.234
68 2HG PRO 23 1HG PRO 23 8.138 9.162 -2.840
69 1HD PRO 23 2HD PRO 23 8.639 7.766 -0.234
70 2HD PRO 23 1HD PRO 23 7.436 7.398 -1.486
71 H ASP 24 H ASP 24 10.937 6.437 -0.323
72 HA ASP 24 HA ASP 24 13.773 7.014 -0.169
73 1HB ASP 24 2HB ASP 24 12.236 7.074 1.832
74 2HB ASP 24 1HB ASP 24 12.117 5.321 1.712
75 H GLY 25 H GLY 25 12.307 5.060 -2.092
76 1HA GLY 25 2HA GLY 25 13.121 3.254 -3.293
77 2HA GLY 25 1HA GLY 25 14.448 3.129 -2.145
78 H ARG 26 H ARG 26 10.988 3.107 -1.424
79 HA ARG 26 HA ARG 26 11.277 0.306 -0.535
80 1HB ARG 26 2HB ARG 26 9.286 2.002 0.854
81 2HB ARG 26 1HB ARG 26 10.303 0.716 1.485
82 1HG ARG 26 2HG ARG 26 11.313 3.458 0.785
83 2HG ARG 26 1HG ARG 26 10.785 2.981 2.398
84 1HD ARG 26 2HD ARG 26 12.996 1.652 0.833
85 2HD ARG 26 1HD ARG 26 13.236 2.850 2.103
86 HE ARG 26 HE ARG 26 11.673 0.693 3.059
87 1HH1 ARG 26 1HH1 ARG 26 14.941 1.544 2.196
88 2HH1 ARG 26 2HH1 ARG 26 15.661 0.405 3.283
89 1HH2 ARG 26 1HH2 ARG 26 12.612 -0.809 4.493
90 2HH2 ARG 26 2HH2 ARG 26 14.337 -0.933 4.590
91 H THR 27 H THR 27 9.114 -0.801 -0.302
92 HA THR 27 HA THR 27 7.345 0.031 -2.509
93 HB THR 27 HB THR 27 7.760 -2.750 -1.384
94 HG1 THR 27 1HG THR 27 9.082 -3.072 -3.060
95 1HG2 THR 27 1HG2 THR 27 6.112 -1.778 -3.723
96 2HG2 THR 27 2HG2 THR 27 5.495 -2.457 -2.217
97 3HG2 THR 27 3HG2 THR 27 6.417 -3.469 -3.330
98 H TYR 28 H TYR 28 5.642 1.088 -1.660
99 HA TYR 28 HA TYR 28 4.436 -0.001 0.795
100 1HB TYR 28 2HB TYR 28 3.771 2.146 1.429
101 2HB TYR 28 1HB TYR 28 5.371 2.401 0.743
102 HD1 TYR 28 1HD TYR 28 1.791 3.010 0.341
103 HD2 TYR 28 2HD TYR 28 5.633 3.546 -1.407
104 HE1 TYR 28 1HE TYR 28 0.857 4.710 -1.171
105 HE2 TYR 28 2HE TYR 28 4.711 5.248 -2.925
106 HH TYR 28 HH TYR 28 1.568 6.576 -2.519
107 H TYR 29 H TYR 29 2.058 0.351 0.996
108 HA TYR 29 HA TYR 29 0.682 0.144 -1.596
109 1HB TYR 29 2HB TYR 29 0.318 -1.665 0.799
110 2HB TYR 29 1HB TYR 29 -0.773 -1.628 -0.582
111 HD1 TYR 29 1HD TYR 29 -0.302 -2.882 -2.514
112 HD2 TYR 29 2HD TYR 29 2.745 -2.296 0.395
113 HE1 TYR 29 1HE TYR 29 1.122 -4.511 -3.685
114 HE2 TYR 29 2HE TYR 29 4.178 -3.920 -0.766
115 HH TYR 29 HH TYR 29 3.952 -5.803 -2.309
116 H TYR 30 H TYR 30 -1.580 0.670 -1.539
117 HA TYR 30 HA TYR 30 -2.368 2.263 0.814
118 1HB TYR 30 2HB TYR 30 -1.706 3.838 -0.869
119 2HB TYR 30 1HB TYR 30 -2.633 2.997 -2.101
120 HD1 TYR 30 1HD TYR 30 -2.726 5.464 0.554
121 HD2 TYR 30 2HD TYR 30 -5.116 3.119 -2.071
122 HE1 TYR 30 1HE TYR 30 -4.637 6.943 0.984
123 HE2 TYR 30 2HE TYR 30 -7.039 4.593 -1.644
124 HH TYR 30 HH TYR 30 -6.741 7.599 -0.090
125 H ASN 31 H ASN 31 -4.267 1.733 1.648
126 HA ASN 31 HA ASN 31 -5.919 -0.253 0.375
127 1HB ASN 31 2HB ASN 31 -5.435 -0.096 2.871
128 2HB ASN 31 1HB ASN 31 -6.537 1.276 2.906
129 1HD2 ASN 31 1HD2 ASN 31 -6.745 -1.283 4.249
130 2HD2 ASN 31 2HD2 ASN 31 -8.232 -1.990 3.721
131 H THR 32 H THR 32 -7.446 0.228 -1.072
132 HA THR 32 HA THR 32 -8.435 2.947 -1.289
133 HB THR 32 HB THR 32 -7.822 1.747 -3.338
134 HG1 THR 32 1HG THR 32 -9.302 3.125 -3.998
135 1HG2 THR 32 1HG2 THR 32 -10.114 -0.085 -2.618
136 2HG2 THR 32 2HG2 THR 32 -8.408 -0.521 -2.699
137 3HG2 THR 32 3HG2 THR 32 -9.273 -0.073 -4.167
138 H GLU 33 H GLU 33 -9.467 -0.058 0.032
139 HA GLU 33 HA GLU 33 -12.282 0.481 -0.058
140 1HB GLU 33 2HB GLU 33 -11.410 -1.815 0.075
141 2HB GLU 33 1HB GLU 33 -10.727 -1.465 1.659
142 1HG GLU 33 2HG GLU 33 -12.793 -2.714 1.861
143 2HG GLU 33 1HG GLU 33 -12.965 -1.101 2.552
144 H THR 34 H THR 34 -9.798 0.621 2.479
145 HA THR 34 HA THR 34 -11.644 1.929 4.306
146 HB THR 34 HB THR 34 -8.707 1.329 4.711
147 HG1 THR 34 1HG THR 34 -10.798 -0.351 4.572
148 1HG2 THR 34 1HG2 THR 34 -10.930 1.920 6.671
149 2HG2 THR 34 2HG2 THR 34 -9.593 2.993 6.257
150 3HG2 THR 34 3HG2 THR 34 -9.277 1.477 7.100
151 H LYS 35 H LYS 35 -9.240 2.730 2.014
152 HA LYS 35 HA LYS 35 -8.447 4.702 1.223
153 1HB LYS 35 2HB LYS 35 -10.398 6.010 3.130
154 2HB LYS 35 1HB LYS 35 -9.586 6.786 1.776
155 1HG LYS 35 2HG LYS 35 -10.773 5.323 0.222
156 2HG LYS 35 1HG LYS 35 -11.585 4.543 1.580
157 1HD LYS 35 2HD LYS 35 -12.614 6.677 2.193
158 2HD LYS 35 1HD LYS 35 -11.791 7.463 0.844
159 1HE LYS 35 2HE LYS 35 -14.104 6.955 0.275
160 2HE LYS 35 1HE LYS 35 -12.990 6.029 -0.729
161 1HZ LYS 35 1HZ LYS 35 -13.350 4.118 0.723
162 2HZ LYS 35 2HZ LYS 35 -14.803 4.650 0.041
163 3HZ LYS 35 3HZ LYS 35 -14.445 5.011 1.654
164 H GLN 36 H GLN 36 -6.637 3.749 2.563
165 HA GLN 36 HA GLN 36 -5.521 5.885 4.175
166 1HB GLN 36 2HB GLN 36 -4.908 4.313 6.015
167 2HB GLN 36 1HB GLN 36 -6.635 4.625 5.894
168 1HG GLN 36 2HG GLN 36 -6.967 2.509 4.767
169 2HG GLN 36 1HG GLN 36 -5.232 2.200 4.795
170 1HE2 GLN 36 1HE2 GLN 36 -4.909 3.306 7.475
171 2HE2 GLN 36 2HE2 GLN 36 -5.561 2.131 8.562
172 H SER 37 H SER 37 -3.213 5.409 4.741
173 HA SER 37 HA SER 37 -1.969 3.917 2.534
174 1HB SER 37 2HB SER 37 -0.707 6.006 4.329
175 2HB SER 37 1HB SER 37 -0.022 5.319 2.855
176 HG SER 37 HG SER 37 -1.507 6.398 1.652
177 H THR 38 H THR 38 -0.636 2.222 2.924
178 HA THR 38 HA THR 38 0.090 1.648 5.713
179 HB THR 38 HB THR 38 -1.903 0.336 5.243
180 HG1 THR 38 1HG THR 38 -0.200 -1.764 5.059
181 1HG2 THR 38 1HG2 THR 38 -1.772 0.229 2.821
182 2HG2 THR 38 2HG2 THR 38 -1.868 -1.402 3.487
183 3HG2 THR 38 3HG2 THR 38 -0.323 -0.769 2.918
184 H TRP 39 H TRP 39 1.849 0.207 6.004
185 HA TRP 39 HA TRP 39 3.728 0.167 3.735
186 1HB TRP 39 2HB TRP 39 4.126 0.104 6.726
187 2HB TRP 39 1HB TRP 39 5.409 -0.330 5.604
188 HD1 TRP 39 HD TRP 39 3.803 2.640 7.215
189 HE1 TRP 39 1HE TRP 39 4.912 4.795 6.333
190 HE3 TRP 39 3HE TRP 39 6.459 0.641 3.347
191 HZ2 TRP 39 2HZ TRP 39 6.685 5.538 4.246
192 HZ3 TRP 39 3HZ TRP 39 7.837 2.128 1.964
193 HH2 TRP 39 HH TRP 39 7.951 4.522 2.413
194 H GLU 40 H GLU 40 5.176 -1.736 3.623
195 HA GLU 40 HA GLU 40 5.558 -3.965 3.409
196 1HB GLU 40 2HB GLU 40 5.471 -3.933 5.879
197 2HB GLU 40 1HB GLU 40 3.739 -4.224 5.811
198 1HG GLU 40 2HG GLU 40 4.153 -6.374 4.714
199 2HG GLU 40 1HG GLU 40 5.889 -6.084 4.819
200 H LYS 41 H LYS 41 4.772 -5.548 2.141
201 HA LYS 41 HA LYS 41 2.255 -5.201 0.903
202 1HB LYS 41 2HB LYS 41 2.781 -7.333 -0.253
203 2HB LYS 41 1HB LYS 41 4.096 -6.168 -0.326
204 1HG LYS 41 2HG LYS 41 5.275 -7.350 1.434
205 2HG LYS 41 1HG LYS 41 3.937 -8.490 1.586
206 1HD LYS 41 2HD LYS 41 4.306 -9.240 -0.707
207 2HD LYS 41 1HD LYS 41 5.624 -8.081 -0.884
208 1HE LYS 41 2HE LYS 41 6.458 -10.337 -0.424
209 2HE LYS 41 1HE LYS 41 6.878 -9.211 0.865
210 1HZ LYS 41 1HZ LYS 41 4.635 -11.159 0.926
211 2HZ LYS 41 2HZ LYS 41 5.024 -10.073 2.163
212 3HZ LYS 41 3HZ LYS 41 6.102 -11.310 1.757
213 HA PRO 42 HA PRO 42 -0.208 -7.548 3.783
214 1HB PRO 42 2HB PRO 42 -2.520 -7.592 2.418
215 2HB PRO 42 1HB PRO 42 -1.900 -6.106 3.146
216 1HG PRO 42 2HG PRO 42 -1.770 -7.017 0.298
217 2HG PRO 42 1HG PRO 42 -2.129 -5.405 0.943
218 1HD PRO 42 2HD PRO 42 0.323 -6.149 -0.026
219 2HD PRO 42 1HD PRO 42 0.086 -4.879 1.190
220 HA PRO 5 HA PRO 5 -2.208 7.585 -7.377
221 1HB PRO 5 2HB PRO 5 0.010 8.933 -6.646
222 2HB PRO 5 1HB PRO 5 -0.372 8.602 -8.340
223 1HG PRO 5 2HG PRO 5 -0.788 11.112 -6.762
224 2HG PRO 5 1HG PRO 5 -0.171 10.918 -8.414
225 1HD PRO 5 2HD PRO 5 -2.744 11.620 -7.850
226 2HD PRO 5 1HD PRO 5 -2.277 10.727 -9.310
227 HA PRO 6 HA PRO 6 -3.082 7.919 -3.045
228 1HB PRO 6 2HB PRO 6 -1.429 5.602 -2.531
229 2HB PRO 6 1HB PRO 6 -3.186 5.731 -2.554
230 1HG PRO 6 2HG PRO 6 -1.779 4.337 -4.411
231 2HG PRO 6 1HG PRO 6 -3.340 5.106 -4.748
232 1HD PRO 6 2HD PRO 6 -0.576 6.090 -5.374
233 2HD PRO 6 1HD PRO 6 -2.035 6.111 -6.390
234 HA PRO 7 HA PRO 7 0.429 9.790 -1.070
235 1HB PRO 7 2HB PRO 7 -0.895 9.619 1.486
236 2HB PRO 7 1HB PRO 7 -0.721 11.026 0.437
237 1HG PRO 7 2HG PRO 7 -3.111 9.791 0.957
238 2HG PRO 7 1HG PRO 7 -2.777 10.729 -0.509
239 1HD PRO 7 2HD PRO 7 -2.751 7.756 -0.110
240 2HD PRO 7 1HD PRO 7 -3.367 8.710 -1.480
241 H LEU 8 H LEU 8 2.177 9.261 0.261
242 HA LEU 8 HA LEU 8 2.497 6.457 0.806
243 1HB LEU 8 2HB LEU 8 4.375 7.677 -0.033
244 2HB LEU 8 1HB LEU 8 4.229 8.892 1.224
245 HG LEU 8 HG LEU 8 4.724 6.805 2.795
246 1HD1 LEU 8 1HD1 LEU 8 6.652 5.659 1.309
247 2HD1 LEU 8 2HD1 LEU 8 5.418 5.919 0.079
248 3HD1 LEU 8 3HD1 LEU 8 5.042 4.978 1.524
249 1HD2 LEU 8 1HD2 LEU 8 7.091 7.428 2.713
250 2HD2 LEU 8 2HD2 LEU 8 6.042 8.846 2.691
251 3HD2 LEU 8 3HD2 LEU 8 6.809 8.293 1.203
252 HA PRO 9 HA PRO 9 1.279 6.666 5.086
253 1HB PRO 9 2HB PRO 9 2.645 4.230 5.712
254 2HB PRO 9 1HB PRO 9 0.930 4.463 5.392
255 1HG PRO 9 2HG PRO 9 2.673 3.072 3.758
256 2HG PRO 9 1HG PRO 9 1.119 3.750 3.247
257 1HD PRO 9 2HD PRO 9 3.878 4.805 2.844
258 2HD PRO 9 1HD PRO 9 2.468 4.888 1.771
259 HA PRO 10 HA PRO 10 4.829 8.220 7.250
260 1HB PRO 10 2HB PRO 10 3.853 8.353 9.759
261 2HB PRO 10 1HB PRO 10 3.306 9.445 8.480
262 1HG PRO 10 2HG PRO 10 2.001 6.971 9.549
263 2HG PRO 10 1HG PRO 10 1.268 8.531 9.133
264 1HD PRO 10 2HD PRO 10 1.195 6.348 7.493
265 2HD PRO 10 1HD PRO 10 1.153 8.020 6.898
Start of MODEL 3
1 H SER 15 H SER 15 -9.398 -6.591 0.346
2 HA SER 15 HA SER 15 -7.902 -7.145 -2.073
3 1HB SER 15 2HB SER 15 -10.929 -7.157 -2.087
4 2HB SER 15 1HB SER 15 -9.903 -7.186 -3.522
5 HG SER 15 HG SER 15 -9.083 -9.185 -2.816
6 H MET 16 H MET 16 -8.799 -5.504 -3.853
7 HA MET 16 HA MET 16 -8.911 -3.342 -4.531
8 1HB MET 16 2HB MET 16 -10.249 -2.827 -1.873
9 2HB MET 16 1HB MET 16 -10.333 -1.812 -3.304
10 1HG MET 16 2HG MET 16 -11.457 -3.680 -4.493
11 2HG MET 16 1HG MET 16 -11.488 -4.567 -2.969
12 1HE MET 16 1HE MET 16 -15.235 -3.553 -3.346
13 2HE MET 16 2HE MET 16 -14.107 -4.871 -3.023
14 3HE MET 16 3HE MET 16 -14.119 -4.087 -4.603
15 H TRP 17 H TRP 17 -6.515 -3.627 -4.124
16 HA TRP 17 HA TRP 17 -5.601 -1.532 -2.263
17 1HB TRP 17 2HB TRP 17 -4.335 -4.213 -2.834
18 2HB TRP 17 1HB TRP 17 -3.468 -2.891 -2.064
19 HD1 TRP 17 HD TRP 17 -6.439 -5.264 -1.426
20 HE1 TRP 17 1HE TRP 17 -6.779 -5.453 1.118
21 HE3 TRP 17 3HE TRP 17 -3.031 -1.774 0.114
22 HZ2 TRP 17 2HZ TRP 17 -5.739 -4.281 3.466
23 HZ3 TRP 17 3HZ TRP 17 -2.767 -1.372 2.523
24 HH2 TRP 17 HH TRP 17 -4.093 -2.598 4.164
25 H THR 18 H THR 18 -3.447 -0.643 -2.857
26 HA THR 18 HA THR 18 -2.950 -0.721 -5.760
27 HB THR 18 HB THR 18 -2.457 1.679 -5.748
28 HG1 THR 18 1HG THR 18 -2.497 2.838 -3.935
29 1HG2 THR 18 1HG2 THR 18 -4.755 2.524 -5.421
30 2HG2 THR 18 2HG2 THR 18 -5.177 1.009 -4.622
31 3HG2 THR 18 3HG2 THR 18 -4.719 1.008 -6.324
32 H GLU 19 H GLU 19 -0.826 -0.789 -6.370
33 HA GLU 19 HA GLU 19 1.125 -1.015 -4.185
34 1HB GLU 19 2HB GLU 19 0.865 -3.009 -5.567
35 2HB GLU 19 1HB GLU 19 1.226 -2.075 -7.013
36 1HG GLU 19 2HG GLU 19 3.479 -1.638 -6.152
37 2HG GLU 19 1HG GLU 19 3.111 -2.608 -4.726
38 H HIS 20 H HIS 20 2.738 0.378 -3.975
39 HA HIS 20 HA HIS 20 3.711 1.900 -6.260
40 1HB HIS 20 2HB HIS 20 2.487 3.163 -3.808
41 2HB HIS 20 1HB HIS 20 3.604 4.028 -4.856
42 HD1 HIS 20 1HD HIS 20 2.749 4.690 -7.211
43 HD2 HIS 20 2HD HIS 20 -0.085 2.800 -4.833
44 HE1 HIS 20 1HE HIS 20 0.547 5.064 -8.366
45 HE2 HIS 20 2HE HIS 20 -1.164 3.999 -6.853
46 H LYS 21 H LYS 21 5.729 3.111 -5.710
47 HA LYS 21 HA LYS 21 7.180 1.730 -3.547
48 1HB LYS 21 2HB LYS 21 8.262 2.680 -6.203
49 2HB LYS 21 1HB LYS 21 9.215 1.940 -4.921
50 1HG LYS 21 2HG LYS 21 7.926 -0.121 -5.147
51 2HG LYS 21 1HG LYS 21 6.963 0.621 -6.426
52 1HD LYS 21 2HD LYS 21 8.631 -0.729 -7.470
53 2HD LYS 21 1HD LYS 21 9.089 0.957 -7.709
54 1HE LYS 21 2HE LYS 21 11.030 -0.368 -7.102
55 2HE LYS 21 1HE LYS 21 10.653 0.788 -5.825
56 1HZ LYS 21 1HZ LYS 21 9.572 -0.988 -4.590
57 2HZ LYS 21 2HZ LYS 21 11.181 -1.390 -4.923
58 3HZ LYS 21 3HZ LYS 21 9.932 -2.095 -5.818
59 H SER 22 H SER 22 7.489 3.083 -1.915
60 HA SER 22 HA SER 22 7.419 5.833 -1.916
61 1HB SER 22 2HB SER 22 7.391 4.368 0.107
62 2HB SER 22 1HB SER 22 9.121 4.118 -0.099
63 HG SER 22 HG SER 22 9.433 6.336 0.208
64 HA PRO 23 HA PRO 23 11.034 7.308 -3.962
65 1HB PRO 23 2HB PRO 23 11.162 9.383 -1.850
66 2HB PRO 23 1HB PRO 23 11.028 9.565 -3.603
67 1HG PRO 23 2HG PRO 23 8.936 10.035 -2.018
68 2HG PRO 23 1HG PRO 23 8.732 9.244 -3.593
69 1HD PRO 23 2HD PRO 23 8.756 8.036 -0.853
70 2HD PRO 23 1HD PRO 23 7.716 7.656 -2.240
71 H ASP 24 H ASP 24 11.075 6.535 -0.584
72 HA ASP 24 HA ASP 24 13.922 6.860 -0.282
73 1HB ASP 24 2HB ASP 24 11.878 5.503 1.494
74 2HB ASP 24 1HB ASP 24 13.564 5.774 1.926
75 H GLY 25 H GLY 25 12.422 4.898 -2.209
76 1HA GLY 25 2HA GLY 25 13.166 2.987 -3.281
77 2HA GLY 25 1HA GLY 25 14.455 2.863 -2.092
78 H ARG 26 H ARG 26 11.051 3.123 -1.305
79 HA ARG 26 HA ARG 26 11.149 0.362 -0.277
80 1HB ARG 26 2HB ARG 26 9.673 2.742 0.821
81 2HB ARG 26 1HB ARG 26 9.488 1.098 1.408
82 1HG ARG 26 2HG ARG 26 11.859 2.909 1.629
83 2HG ARG 26 1HG ARG 26 10.949 2.094 2.892
84 1HD ARG 26 2HD ARG 26 11.783 -0.081 1.998
85 2HD ARG 26 1HD ARG 26 12.827 0.835 0.913
86 HE ARG 26 HE ARG 26 13.270 1.723 3.529
87 1HH1 ARG 26 1HH1 ARG 26 13.759 -1.120 1.572
88 2HH1 ARG 26 2HH1 ARG 26 15.149 -1.648 2.461
89 1HH2 ARG 26 1HH2 ARG 26 15.099 1.031 4.705
90 2HH2 ARG 26 2HH2 ARG 26 15.909 -0.429 4.240
91 H THR 27 H THR 27 8.965 -0.661 -0.078
92 HA THR 27 HA THR 27 7.260 0.124 -2.354
93 HB THR 27 HB THR 27 7.563 -2.654 -1.191
94 HG1 THR 27 1HG THR 27 9.375 -1.539 -2.511
95 1HG2 THR 27 1HG2 THR 27 5.399 -2.202 -2.282
96 2HG2 THR 27 2HG2 THR 27 6.360 -3.375 -3.181
97 3HG2 THR 27 3HG2 THR 27 6.253 -1.708 -3.743
98 H TYR 28 H TYR 28 5.601 1.241 -1.482
99 HA TYR 28 HA TYR 28 4.337 0.149 0.939
100 1HB TYR 28 2HB TYR 28 3.642 2.305 1.536
101 2HB TYR 28 1HB TYR 28 5.268 2.546 0.907
102 HD1 TYR 28 1HD TYR 28 5.597 3.620 -1.293
103 HD2 TYR 28 2HD TYR 28 1.725 3.227 0.428
104 HE1 TYR 28 1HE TYR 28 4.738 5.320 -2.849
105 HE2 TYR 28 2HE TYR 28 0.856 4.923 -1.125
106 HH TYR 28 HH TYR 28 1.623 6.737 -2.499
107 H TYR 29 H TYR 29 1.991 0.307 1.096
108 HA TYR 29 HA TYR 29 0.663 0.172 -1.529
109 1HB TYR 29 2HB TYR 29 0.292 -1.711 0.809
110 2HB TYR 29 1HB TYR 29 -0.745 -1.678 -0.614
111 HD1 TYR 29 1HD TYR 29 -0.217 -2.996 -2.458
112 HD2 TYR 29 2HD TYR 29 2.818 -2.122 0.392
113 HE1 TYR 29 1HE TYR 29 1.304 -4.552 -3.607
114 HE2 TYR 29 2HE TYR 29 4.345 -3.673 -0.747
115 HH TYR 29 HH TYR 29 3.704 -4.951 -3.836
116 H TYR 30 H TYR 30 -1.568 0.707 -1.548
117 HA TYR 30 HA TYR 30 -2.542 2.116 0.846
118 1HB TYR 30 2HB TYR 30 -1.717 3.817 -0.641
119 2HB TYR 30 1HB TYR 30 -2.548 3.096 -2.011
120 HD1 TYR 30 1HD TYR 30 -5.068 3.179 -2.079
121 HD2 TYR 30 2HD TYR 30 -2.788 5.407 0.734
122 HE1 TYR 30 1HE TYR 30 -7.002 4.649 -1.686
123 HE2 TYR 30 2HE TYR 30 -4.712 6.879 1.140
124 HH TYR 30 HH TYR 30 -7.846 6.144 0.090
125 H ASN 31 H ASN 31 -4.485 1.428 1.460
126 HA ASN 31 HA ASN 31 -6.019 -0.320 -0.272
127 1HB ASN 31 2HB ASN 31 -5.735 -0.910 2.095
128 2HB ASN 31 1HB ASN 31 -6.532 0.585 2.572
129 1HD2 ASN 31 1HD2 ASN 31 -8.170 -0.453 3.659
130 2HD2 ASN 31 2HD2 ASN 31 -9.417 -1.336 2.852
131 H THR 32 H THR 32 -7.856 0.199 -1.327
132 HA THR 32 HA THR 32 -8.711 2.990 -1.190
133 HB THR 32 HB THR 32 -8.312 2.315 -3.420
134 HG1 THR 32 1HG THR 32 -10.137 3.494 -3.507
135 1HG2 THR 32 1HG2 THR 32 -9.516 0.367 -4.434
136 2HG2 THR 32 2HG2 THR 32 -10.020 -0.092 -2.807
137 3HG2 THR 32 3HG2 THR 32 -8.308 -0.068 -3.226
138 H GLU 33 H GLU 33 -9.647 0.004 0.065
139 HA GLU 33 HA GLU 33 -12.478 0.321 0.005
140 1HB GLU 33 2HB GLU 33 -10.574 -1.410 1.539
141 2HB GLU 33 1HB GLU 33 -12.247 -1.301 2.067
142 1HG GLU 33 2HG GLU 33 -12.969 -2.021 -0.176
143 2HG GLU 33 1HG GLU 33 -11.276 -2.207 -0.631
144 H THR 34 H THR 34 -10.247 0.502 2.771
145 HA THR 34 HA THR 34 -12.122 2.170 4.224
146 HB THR 34 HB THR 34 -9.389 1.142 5.019
147 HG1 THR 34 1HG THR 34 -10.547 -0.415 6.145
148 1HG2 THR 34 1HG2 THR 34 -11.529 2.506 6.652
149 2HG2 THR 34 2HG2 THR 34 -9.920 3.130 6.289
150 3HG2 THR 34 3HG2 THR 34 -10.102 1.714 7.322
151 H LYS 35 H LYS 35 -9.489 2.538 2.134
152 HA LYS 35 HA LYS 35 -8.446 4.359 1.265
153 1HB LYS 35 2HB LYS 35 -10.227 6.029 3.045
154 2HB LYS 35 1HB LYS 35 -9.336 6.577 1.632
155 1HG LYS 35 2HG LYS 35 -10.726 5.235 0.185
156 2HG LYS 35 1HG LYS 35 -11.566 4.553 1.579
157 1HD LYS 35 2HD LYS 35 -11.535 7.485 0.857
158 2HD LYS 35 1HD LYS 35 -12.832 6.364 0.440
159 1HE LYS 35 2HE LYS 35 -13.277 5.949 2.782
160 2HE LYS 35 1HE LYS 35 -11.908 6.956 3.250
161 1HZ LYS 35 1HZ LYS 35 -13.025 8.871 2.307
162 2HZ LYS 35 2HZ LYS 35 -14.012 8.132 3.464
163 3HZ LYS 35 3HZ LYS 35 -14.329 7.909 1.818
164 H GLN 36 H GLN 36 -6.608 3.486 2.483
165 HA GLN 36 HA GLN 36 -5.511 5.536 4.209
166 1HB GLN 36 2HB GLN 36 -5.040 4.124 6.084
167 2HB GLN 36 1HB GLN 36 -6.761 4.002 5.743
168 1HG GLN 36 2HG GLN 36 -4.889 2.006 4.568
169 2HG GLN 36 1HG GLN 36 -5.357 1.870 6.263
170 1HE2 GLN 36 1HE2 GLN 36 -6.490 -0.016 5.993
171 2HE2 GLN 36 2HE2 GLN 36 -7.987 -0.102 5.134
172 H SER 37 H SER 37 -3.226 5.171 4.690
173 HA SER 37 HA SER 37 -1.925 3.630 2.545
174 1HB SER 37 2HB SER 37 -0.720 5.891 4.159
175 2HB SER 37 1HB SER 37 -0.095 5.180 2.669
176 HG SER 37 HG SER 37 -1.188 7.157 2.291
177 H THR 38 H THR 38 -0.338 2.149 3.039
178 HA THR 38 HA THR 38 0.489 1.873 5.827
179 HB THR 38 HB THR 38 -1.529 0.450 5.541
180 HG1 THR 38 1HG THR 38 -0.493 -1.439 6.398
181 1HG2 THR 38 1HG2 THR 38 -1.182 -0.105 3.158
182 2HG2 THR 38 2HG2 THR 38 -1.421 -1.540 4.154
183 3HG2 THR 38 3HG2 THR 38 0.198 -1.105 3.609
184 H TRP 39 H TRP 39 2.242 0.324 6.124
185 HA TRP 39 HA TRP 39 4.042 0.279 3.792
186 1HB TRP 39 2HB TRP 39 4.562 0.192 6.771
187 2HB TRP 39 1HB TRP 39 5.806 -0.144 5.573
188 HD1 TRP 39 HD TRP 39 4.086 2.707 7.320
189 HE1 TRP 39 1HE TRP 39 5.057 4.938 6.465
190 HE3 TRP 39 3HE TRP 39 6.740 0.942 3.339
191 HZ2 TRP 39 2HZ TRP 39 6.735 5.822 4.361
192 HZ3 TRP 39 3HZ TRP 39 7.994 2.529 1.958
193 HH2 TRP 39 HH TRP 39 8.002 4.918 2.460
194 H GLU 40 H GLU 40 5.530 -1.631 3.701
195 HA GLU 40 HA GLU 40 5.905 -3.862 3.498
196 1HB GLU 40 2HB GLU 40 5.794 -3.897 5.949
197 2HB GLU 40 1HB GLU 40 4.048 -4.084 5.875
198 1HG GLU 40 2HG GLU 40 4.315 -6.243 4.777
199 2HG GLU 40 1HG GLU 40 6.068 -6.056 4.827
200 H LYS 41 H LYS 41 5.123 -5.452 2.224
201 HA LYS 41 HA LYS 41 2.671 -5.031 0.883
202 1HB LYS 41 2HB LYS 41 3.190 -7.035 -0.358
203 2HB LYS 41 1HB LYS 41 4.662 -6.098 -0.143
204 1HG LYS 41 2HG LYS 41 5.359 -7.578 1.659
205 2HG LYS 41 1HG LYS 41 3.868 -8.506 1.483
206 1HD LYS 41 2HD LYS 41 4.533 -8.996 -0.870
207 2HD LYS 41 1HD LYS 41 6.078 -8.205 -0.547
208 1HE LYS 41 2HE LYS 41 6.313 -10.603 -0.313
209 2HE LYS 41 1HE LYS 41 6.505 -9.823 1.256
210 1HZ LYS 41 1HZ LYS 41 4.058 -11.188 0.272
211 2HZ LYS 41 2HZ LYS 41 4.197 -10.395 1.759
212 3HZ LYS 41 3HZ LYS 41 5.125 -11.775 1.448
213 HA PRO 42 HA PRO 42 0.024 -7.427 3.545
214 1HB PRO 42 2HB PRO 42 -2.244 -7.229 2.160
215 2HB PRO 42 1HB PRO 42 -1.505 -5.801 2.897
216 1HG PRO 42 2HG PRO 42 -1.487 -6.690 0.049
217 2HG PRO 42 1HG PRO 42 -1.616 -5.053 0.712
218 1HD PRO 42 2HD PRO 42 0.717 -6.237 -0.266
219 2HD PRO 42 1HD PRO 42 0.642 -4.800 0.770
220 HA PRO 5 HA PRO 5 -1.988 7.656 -7.262
221 1HB PRO 5 2HB PRO 5 0.135 9.037 -6.363
222 2HB PRO 5 1HB PRO 5 -0.116 8.723 -8.083
223 1HG PRO 5 2HG PRO 5 -0.674 11.204 -6.509
224 2HG PRO 5 1HG PRO 5 0.036 11.038 -8.125
225 1HD PRO 5 2HD PRO 5 -2.590 11.679 -7.667
226 2HD PRO 5 1HD PRO 5 -2.009 10.874 -9.138
227 HA PRO 6 HA PRO 6 -3.135 7.926 -2.977
228 1HB PRO 6 2HB PRO 6 -1.466 5.630 -2.407
229 2HB PRO 6 1HB PRO 6 -3.224 5.723 -2.522
230 1HG PRO 6 2HG PRO 6 -1.689 4.384 -4.317
231 2HG PRO 6 1HG PRO 6 -3.246 5.121 -4.728
232 1HD PRO 6 2HD PRO 6 -0.475 6.173 -5.198
233 2HD PRO 6 1HD PRO 6 -1.881 6.174 -6.288
234 HA PRO 7 HA PRO 7 0.279 9.857 -0.905
235 1HB PRO 7 2HB PRO 7 -1.041 9.609 1.645
236 2HB PRO 7 1HB PRO 7 -0.920 11.033 0.611
237 1HG PRO 7 2HG PRO 7 -3.260 9.691 1.118
238 2HG PRO 7 1HG PRO 7 -2.969 10.678 -0.324
239 1HD PRO 7 2HD PRO 7 -2.845 7.701 -0.001
240 2HD PRO 7 1HD PRO 7 -3.475 8.671 -1.355
241 H LEU 8 H LEU 8 2.045 9.363 0.394
242 HA LEU 8 HA LEU 8 2.453 6.568 0.934
243 1HB LEU 8 2HB LEU 8 4.273 7.864 0.057
244 2HB LEU 8 1HB LEU 8 4.132 9.042 1.350
245 HG LEU 8 HG LEU 8 4.718 6.946 2.860
246 1HD1 LEU 8 1HD1 LEU 8 5.382 6.134 0.095
247 2HD1 LEU 8 2HD1 LEU 8 4.923 5.153 1.489
248 3HD1 LEU 8 3HD1 LEU 8 6.564 5.779 1.350
249 1HD2 LEU 8 1HD2 LEU 8 6.023 9.011 2.692
250 2HD2 LEU 8 2HD2 LEU 8 6.756 8.426 1.199
251 3HD2 LEU 8 3HD2 LEU 8 7.065 7.589 2.720
252 HA PRO 9 HA PRO 9 1.281 6.741 5.229
253 1HB PRO 9 2HB PRO 9 2.806 4.374 5.824
254 2HB PRO 9 1HB PRO 9 1.065 4.523 5.593
255 1HG PRO 9 2HG PRO 9 2.743 3.187 3.879
256 2HG PRO 9 1HG PRO 9 1.176 3.872 3.415
257 1HD PRO 9 2HD PRO 9 3.926 4.960 2.989
258 2HD PRO 9 1HD PRO 9 2.516 4.999 1.909
259 HA PRO 10 HA PRO 10 4.854 8.385 7.302
260 1HB PRO 10 2HB PRO 10 3.819 8.870 9.716
261 2HB PRO 10 1HB PRO 10 3.268 9.763 8.295
262 1HG PRO 10 2HG PRO 10 1.980 7.460 9.702
263 2HG PRO 10 1HG PRO 10 1.233 8.924 9.038
264 1HD PRO 10 2HD PRO 10 1.290 6.470 7.766
265 2HD PRO 10 1HD PRO 10 1.080 8.028 6.944
Start of MODEL 4
1 H SER 15 H SER 15 -8.019 -5.813 1.746
2 HA SER 15 HA SER 15 -8.133 -7.333 -0.697
3 1HB SER 15 2HB SER 15 -10.699 -6.426 0.630
4 2HB SER 15 1HB SER 15 -10.576 -7.046 -1.016
5 HG SER 15 HG SER 15 -11.188 -8.677 0.459
6 H MET 16 H MET 16 -8.506 -6.039 -2.533
7 HA MET 16 HA MET 16 -8.275 -4.151 -3.784
8 1HB MET 16 2HB MET 16 -9.714 -2.812 -1.486
9 2HB MET 16 1HB MET 16 -9.582 -2.206 -3.133
10 1HG MET 16 2HG MET 16 -11.014 -4.715 -2.287
11 2HG MET 16 1HG MET 16 -11.772 -3.178 -2.701
12 1HE MET 16 1HE MET 16 -12.501 -6.051 -4.065
13 2HE MET 16 2HE MET 16 -12.739 -5.485 -5.718
14 3HE MET 16 3HE MET 16 -13.328 -4.522 -4.363
15 H TRP 17 H TRP 17 -6.087 -3.854 -3.796
16 HA TRP 17 HA TRP 17 -5.061 -1.839 -1.922
17 1HB TRP 17 2HB TRP 17 -3.624 -4.388 -2.682
18 2HB TRP 17 1HB TRP 17 -2.951 -3.085 -1.706
19 HD1 TRP 17 HD TRP 17 -5.460 -5.968 -1.535
20 HE1 TRP 17 1HE TRP 17 -6.006 -6.428 0.937
21 HE3 TRP 17 3HE TRP 17 -3.053 -1.985 0.579
22 HZ2 TRP 17 2HZ TRP 17 -5.482 -5.257 3.451
23 HZ3 TRP 17 3HZ TRP 17 -3.127 -1.730 3.023
24 HH2 TRP 17 HH TRP 17 -4.316 -3.331 4.425
25 H THR 18 H THR 18 -3.521 -0.463 -2.717
26 HA THR 18 HA THR 18 -3.069 -0.557 -5.607
27 HB THR 18 HB THR 18 -2.346 1.842 -3.992
28 HG1 THR 18 1HG THR 18 -4.596 2.508 -4.140
29 1HG2 THR 18 1HG2 THR 18 -3.691 1.422 -6.656
30 2HG2 THR 18 2HG2 THR 18 -1.988 1.799 -6.397
31 3HG2 THR 18 3HG2 THR 18 -3.228 2.983 -5.981
32 H GLU 19 H GLU 19 -0.991 -0.675 -6.413
33 HA GLU 19 HA GLU 19 1.114 -1.079 -4.402
34 1HB GLU 19 2HB GLU 19 0.639 -2.970 -5.920
35 2HB GLU 19 1HB GLU 19 1.048 -1.952 -7.295
36 1HG GLU 19 2HG GLU 19 3.331 -1.721 -6.430
37 2HG GLU 19 1HG GLU 19 2.913 -2.777 -5.081
38 H HIS 20 H HIS 20 2.602 0.410 -4.141
39 HA HIS 20 HA HIS 20 3.602 1.921 -6.421
40 1HB HIS 20 2HB HIS 20 2.398 3.211 -3.967
41 2HB HIS 20 1HB HIS 20 3.427 4.066 -5.111
42 HD1 HIS 20 1HD HIS 20 2.439 4.495 -7.497
43 HD2 HIS 20 2HD HIS 20 -0.222 2.816 -4.781
44 HE1 HIS 20 1HE HIS 20 0.165 4.748 -8.540
45 HE2 HIS 20 2HE HIS 20 -1.436 3.776 -6.854
46 H LYS 21 H LYS 21 5.574 3.234 -5.773
47 HA LYS 21 HA LYS 21 7.037 1.769 -3.674
48 1HB LYS 21 2HB LYS 21 8.032 2.867 -6.300
49 2HB LYS 21 1HB LYS 21 9.093 2.276 -5.029
50 1HG LYS 21 2HG LYS 21 8.026 0.068 -5.193
51 2HG LYS 21 1HG LYS 21 7.015 0.674 -6.508
52 1HD LYS 21 2HD LYS 21 8.986 1.107 -7.857
53 2HD LYS 21 1HD LYS 21 10.031 0.594 -6.532
54 1HE LYS 21 2HE LYS 21 9.795 -1.178 -8.186
55 2HE LYS 21 1HE LYS 21 9.076 -1.652 -6.648
56 1HZ LYS 21 1HZ LYS 21 7.569 -0.612 -8.985
57 2HZ LYS 21 2HZ LYS 21 6.900 -1.141 -7.526
58 3HZ LYS 21 3HZ LYS 21 7.679 -2.242 -8.545
59 H SER 22 H SER 22 7.391 2.988 -1.952
60 HA SER 22 HA SER 22 7.233 5.726 -1.723
61 1HB SER 22 2HB SER 22 7.311 4.132 0.187
62 2HB SER 22 1HB SER 22 9.029 3.900 -0.113
63 HG SER 22 HG SER 22 9.453 5.892 0.592
64 HA PRO 23 HA PRO 23 10.755 7.377 -3.816
65 1HB PRO 23 2HB PRO 23 10.812 9.439 -1.694
66 2HB PRO 23 1HB PRO 23 10.623 9.625 -3.440
67 1HG PRO 23 2HG PRO 23 8.551 9.978 -1.799
68 2HG PRO 23 1HG PRO 23 8.344 9.182 -3.372
69 1HD PRO 23 2HD PRO 23 8.542 7.961 -0.641
70 2HD PRO 23 1HD PRO 23 7.448 7.546 -1.976
71 H ASP 24 H ASP 24 10.849 6.505 -0.478
72 HA ASP 24 HA ASP 24 13.688 6.971 -0.190
73 1HB ASP 24 2HB ASP 24 12.010 7.142 1.705
74 2HB ASP 24 1HB ASP 24 11.895 5.386 1.654
75 H GLY 25 H GLY 25 12.230 4.961 -2.095
76 1HA GLY 25 2HA GLY 25 13.064 3.094 -3.188
77 2HA GLY 25 1HA GLY 25 14.327 2.981 -1.970
78 H ARG 26 H ARG 26 10.826 3.050 -1.434
79 HA ARG 26 HA ARG 26 11.013 0.270 -0.450
80 1HB ARG 26 2HB ARG 26 9.059 2.178 0.762
81 2HB ARG 26 1HB ARG 26 9.785 0.739 1.457
82 1HG ARG 26 2HG ARG 26 11.201 3.347 0.985
83 2HG ARG 26 1HG ARG 26 10.549 2.801 2.529
84 1HD ARG 26 2HD ARG 26 12.029 0.751 2.257
85 2HD ARG 26 1HD ARG 26 12.826 1.629 0.952
86 HE ARG 26 HE ARG 26 12.730 3.222 3.285
87 1HH1 ARG 26 1HH1 ARG 26 14.361 0.455 1.933
88 2HH1 ARG 26 2HH1 ARG 26 15.798 0.683 2.873
89 1HH2 ARG 26 1HH2 ARG 26 14.615 3.526 4.526
90 2HH2 ARG 26 2HH2 ARG 26 15.942 2.428 4.348
91 H THR 27 H THR 27 8.853 -0.802 -0.306
92 HA THR 27 HA THR 27 7.132 0.045 -2.545
93 HB THR 27 HB THR 27 7.485 -2.758 -1.450
94 HG1 THR 27 1HG THR 27 8.314 -2.753 -3.879
95 1HG2 THR 27 1HG2 THR 27 6.008 -1.746 -3.883
96 2HG2 THR 27 2HG2 THR 27 5.268 -2.361 -2.407
97 3HG2 THR 27 3HG2 THR 27 6.214 -3.439 -3.434
98 H TYR 28 H TYR 28 5.474 1.133 -1.648
99 HA TYR 28 HA TYR 28 4.229 0.007 0.768
100 1HB TYR 28 2HB TYR 28 3.537 2.173 1.386
101 2HB TYR 28 1HB TYR 28 5.190 2.373 0.807
102 HD1 TYR 28 1HD TYR 28 5.556 3.302 -1.508
103 HD2 TYR 28 2HD TYR 28 1.742 3.325 0.378
104 HE1 TYR 28 1HE TYR 28 4.800 5.045 -3.069
105 HE2 TYR 28 2HE TYR 28 0.976 5.066 -1.179
106 HH TYR 28 HH TYR 28 1.903 6.795 -2.610
107 H TYR 29 H TYR 29 1.825 0.382 0.938
108 HA TYR 29 HA TYR 29 0.536 0.203 -1.703
109 1HB TYR 29 2HB TYR 29 0.063 -1.641 0.646
110 2HB TYR 29 1HB TYR 29 -0.936 -1.596 -0.803
111 HD1 TYR 29 1HD TYR 29 -0.290 -2.748 -2.763
112 HD2 TYR 29 2HD TYR 29 2.476 -2.317 0.440
113 HE1 TYR 29 1HE TYR 29 1.221 -4.347 -3.861
114 HE2 TYR 29 2HE TYR 29 3.995 -3.916 -0.649
115 HH TYR 29 HH TYR 29 3.879 -5.746 -2.283
116 H TYR 30 H TYR 30 -1.714 0.717 -1.744
117 HA TYR 30 HA TYR 30 -2.574 2.404 0.516
118 1HB TYR 30 2HB TYR 30 -2.049 3.701 -1.518
119 2HB TYR 30 1HB TYR 30 -3.216 2.745 -2.423
120 HD1 TYR 30 1HD TYR 30 -5.668 2.847 -1.645
121 HD2 TYR 30 2HD TYR 30 -2.716 5.655 -0.421
122 HE1 TYR 30 1HE TYR 30 -7.443 4.435 -1.033
123 HE2 TYR 30 2HE TYR 30 -4.483 7.247 0.204
124 HH TYR 30 HH TYR 30 -7.751 6.368 0.455
125 H ASN 31 H ASN 31 -4.131 1.401 1.622
126 HA ASN 31 HA ASN 31 -5.764 -0.661 0.514
127 1HB ASN 31 2HB ASN 31 -5.047 -0.390 2.957
128 2HB ASN 31 1HB ASN 31 -6.310 0.829 3.082
129 1HD2 ASN 31 1HD2 ASN 31 -6.139 -1.629 4.524
130 2HD2 ASN 31 2HD2 ASN 31 -7.535 -2.560 4.110
131 H THR 32 H THR 32 -7.650 -0.483 -0.552
132 HA THR 32 HA THR 32 -8.835 2.174 -0.806
133 HB THR 32 HB THR 32 -9.542 1.584 -2.851
134 HG1 THR 32 1HG THR 32 -10.365 -0.832 -1.614
135 1HG2 THR 32 1HG2 THR 32 -8.259 -0.091 -3.967
136 2HG2 THR 32 2HG2 THR 32 -7.964 -0.952 -2.460
137 3HG2 THR 32 3HG2 THR 32 -7.220 0.623 -2.732
138 H GLU 33 H GLU 33 -9.389 -0.744 0.888
139 HA GLU 33 HA GLU 33 -12.223 -0.599 1.084
140 1HB GLU 33 2HB GLU 33 -10.170 -1.968 2.828
141 2HB GLU 33 1HB GLU 33 -11.908 -2.149 3.031
142 1HG GLU 33 2HG GLU 33 -10.348 -2.897 0.566
143 2HG GLU 33 1HG GLU 33 -10.914 -4.016 1.805
144 H THR 34 H THR 34 -9.626 0.264 3.365
145 HA THR 34 HA THR 34 -11.539 1.772 4.978
146 HB THR 34 HB THR 34 -8.594 1.374 5.513
147 HG1 THR 34 1HG THR 34 -10.596 -0.128 6.801
148 1HG2 THR 34 1HG2 THR 34 -9.600 3.175 6.797
149 2HG2 THR 34 2HG2 THR 34 -9.262 1.803 7.852
150 3HG2 THR 34 3HG2 THR 34 -10.911 2.109 7.304
151 H LYS 35 H LYS 35 -9.443 2.270 2.421
152 HA LYS 35 HA LYS 35 -8.676 4.102 1.329
153 1HB LYS 35 2HB LYS 35 -10.480 5.693 3.160
154 2HB LYS 35 1HB LYS 35 -9.856 6.194 1.595
155 1HG LYS 35 2HG LYS 35 -11.167 4.449 0.504
156 2HG LYS 35 1HG LYS 35 -11.781 3.930 2.077
157 1HD LYS 35 2HD LYS 35 -12.839 6.098 2.399
158 2HD LYS 35 1HD LYS 35 -12.180 6.668 0.865
159 1HE LYS 35 2HE LYS 35 -14.520 6.012 0.634
160 2HE LYS 35 1HE LYS 35 -13.468 4.974 -0.327
161 1HZ LYS 35 1HZ LYS 35 -14.562 4.284 2.348
162 2HZ LYS 35 2HZ LYS 35 -13.616 3.281 1.367
163 3HZ LYS 35 3HZ LYS 35 -15.172 3.722 0.873
164 H GLN 36 H GLN 36 -6.745 3.392 2.678
165 HA GLN 36 HA GLN 36 -5.597 5.779 3.848
166 1HB GLN 36 2HB GLN 36 -4.891 4.681 5.917
167 2HB GLN 36 1HB GLN 36 -6.645 4.721 5.789
168 1HG GLN 36 2HG GLN 36 -6.766 2.429 5.284
169 2HG GLN 36 1HG GLN 36 -5.033 2.328 4.976
170 1HE2 GLN 36 1HE2 GLN 36 -3.598 2.344 6.733
171 2HE2 GLN 36 2HE2 GLN 36 -4.123 1.965 8.334
172 H SER 37 H SER 37 -3.257 5.436 4.377
173 HA SER 37 HA SER 37 -2.070 3.655 2.364
174 1HB SER 37 2HB SER 37 -0.850 6.050 3.762
175 2HB SER 37 1HB SER 37 -0.128 5.135 2.439
176 HG SER 37 HG SER 37 -1.324 7.169 1.935
177 H THR 38 H THR 38 -0.528 2.150 2.914
178 HA THR 38 HA THR 38 0.362 2.030 5.697
179 HB THR 38 HB THR 38 -1.660 0.655 5.634
180 HG1 THR 38 1HG THR 38 0.622 -0.040 6.585
181 1HG2 THR 38 1HG2 THR 38 -0.198 -0.916 3.505
182 2HG2 THR 38 2HG2 THR 38 -1.657 0.048 3.276
183 3HG2 THR 38 3HG2 THR 38 -1.707 -1.401 4.279
184 H TRP 39 H TRP 39 2.010 0.361 6.057
185 HA TRP 39 HA TRP 39 3.851 0.189 3.765
186 1HB TRP 39 2HB TRP 39 4.296 0.052 6.755
187 2HB TRP 39 1HB TRP 39 5.551 -0.299 5.574
188 HD1 TRP 39 HD TRP 39 3.932 2.544 7.397
189 HE1 TRP 39 1HE TRP 39 4.995 4.765 6.636
190 HE3 TRP 39 3HE TRP 39 6.526 0.844 3.342
191 HZ2 TRP 39 2HZ TRP 39 6.705 5.672 4.573
192 HZ3 TRP 39 3HZ TRP 39 7.843 2.443 2.028
193 HH2 TRP 39 HH TRP 39 7.938 4.807 2.631
194 H GLU 40 H GLU 40 5.241 -1.785 3.724
195 HA GLU 40 HA GLU 40 5.533 -4.030 3.559
196 1HB GLU 40 2HB GLU 40 5.402 -3.982 6.014
197 2HB GLU 40 1HB GLU 40 3.654 -4.148 5.925
198 1HG GLU 40 2HG GLU 40 4.670 -6.268 6.457
199 2HG GLU 40 1HG GLU 40 3.926 -6.337 4.861
200 H LYS 41 H LYS 41 4.725 -5.596 2.298
201 HA LYS 41 HA LYS 41 2.199 -5.185 1.048
202 1HB LYS 41 2HB LYS 41 2.753 -7.228 -0.226
203 2HB LYS 41 1HB LYS 41 4.073 -6.066 -0.221
204 1HG LYS 41 2HG LYS 41 5.231 -7.354 1.480
205 2HG LYS 41 1HG LYS 41 3.890 -8.496 1.550
206 1HD LYS 41 2HD LYS 41 5.387 -9.585 0.163
207 2HD LYS 41 1HD LYS 41 4.332 -8.772 -0.996
208 1HE LYS 41 2HE LYS 41 6.981 -7.702 -0.025
209 2HE LYS 41 1HE LYS 41 6.743 -8.571 -1.540
210 1HZ LYS 41 1HZ LYS 41 5.145 -6.809 -2.178
211 2HZ LYS 41 2HZ LYS 41 6.729 -6.250 -1.992
212 3HZ LYS 41 3HZ LYS 41 5.581 -5.948 -0.788
213 HA PRO 42 HA PRO 42 -0.138 -7.696 3.917
214 1HB PRO 42 2HB PRO 42 -2.533 -7.556 2.708
215 2HB PRO 42 1HB PRO 42 -1.824 -6.162 3.534
216 1HG PRO 42 2HG PRO 42 -1.905 -6.793 0.611
217 2HG PRO 42 1HG PRO 42 -2.171 -5.244 1.429
218 1HD PRO 42 2HD PRO 42 0.190 -5.951 0.229
219 2HD PRO 42 1HD PRO 42 0.069 -4.795 1.570
220 HA PRO 5 HA PRO 5 -1.224 7.949 -7.416
221 1HB PRO 5 2HB PRO 5 0.814 9.647 -6.264
222 2HB PRO 5 1HB PRO 5 0.973 8.457 -7.558
223 1HG PRO 5 2HG PRO 5 1.221 11.154 -7.936
224 2HG PRO 5 1HG PRO 5 0.703 10.025 -9.200
225 1HD PRO 5 2HD PRO 5 -0.949 11.838 -7.483
226 2HD PRO 5 1HD PRO 5 -1.119 11.454 -9.211
227 HA PRO 6 HA PRO 6 -2.693 8.414 -3.242
228 1HB PRO 6 2HB PRO 6 -1.334 5.980 -2.484
229 2HB PRO 6 1HB PRO 6 -3.054 6.239 -2.774
230 1HG PRO 6 2HG PRO 6 -1.471 4.716 -4.374
231 2HG PRO 6 1HG PRO 6 -2.929 5.548 -4.941
232 1HD PRO 6 2HD PRO 6 -0.055 6.356 -5.229
233 2HD PRO 6 1HD PRO 6 -1.380 6.462 -6.409
234 HA PRO 7 HA PRO 7 0.729 10.064 -0.972
235 1HB PRO 7 2HB PRO 7 -0.366 10.318 1.466
236 2HB PRO 7 1HB PRO 7 -0.905 11.306 0.104
237 1HG PRO 7 2HG PRO 7 -2.163 8.868 1.292
238 2HG PRO 7 1HG PRO 7 -2.931 10.362 0.721
239 1HD PRO 7 2HD PRO 7 -2.807 8.027 -0.733
240 2HD PRO 7 1HD PRO 7 -2.979 9.644 -1.450
241 H LEU 8 H LEU 8 2.388 9.451 0.414
242 HA LEU 8 HA LEU 8 2.578 6.634 0.944
243 1HB LEU 8 2HB LEU 8 4.489 7.940 0.143
244 2HB LEU 8 1HB LEU 8 4.439 8.927 1.594
245 HG LEU 8 HG LEU 8 4.850 6.695 2.846
246 1HD1 LEU 8 1HD1 LEU 8 5.812 4.938 1.631
247 2HD1 LEU 8 2HD1 LEU 8 6.003 5.927 0.186
248 3HD1 LEU 8 3HD1 LEU 8 4.397 5.413 0.697
249 1HD2 LEU 8 1HD2 LEU 8 6.469 8.526 2.687
250 2HD2 LEU 8 2HD2 LEU 8 7.004 7.917 1.121
251 3HD2 LEU 8 3HD2 LEU 8 7.259 6.953 2.575
252 HA PRO 9 HA PRO 9 1.253 6.815 5.191
253 1HB PRO 9 2HB PRO 9 2.634 4.361 5.806
254 2HB PRO 9 1HB PRO 9 0.911 4.607 5.526
255 1HG PRO 9 2HG PRO 9 2.564 3.205 3.843
256 2HG PRO 9 1HG PRO 9 1.054 3.980 3.341
257 1HD PRO 9 2HD PRO 9 3.871 4.915 3.009
258 2HD PRO 9 1HD PRO 9 2.495 5.053 1.894
259 HA PRO 10 HA PRO 10 4.820 8.219 7.447
260 1HB PRO 10 2HB PRO 10 3.693 8.726 9.822
261 2HB PRO 10 1HB PRO 10 3.289 9.683 8.392
262 1HG PRO 10 2HG PRO 10 1.749 7.482 9.697
263 2HG PRO 10 1HG PRO 10 1.161 8.988 8.973
264 1HD PRO 10 2HD PRO 10 1.146 6.503 7.733
265 2HD PRO 10 1HD PRO 10 1.044 8.064 6.895
Start of MODEL 5
1 H SER 15 H SER 15 -10.196 -7.859 -0.053
2 HA SER 15 HA SER 15 -7.480 -7.896 -1.190
3 1HB SER 15 2HB SER 15 -10.054 -8.967 -2.373
4 2HB SER 15 1HB SER 15 -8.475 -9.010 -3.159
5 HG SER 15 HG SER 15 -7.861 -10.158 -1.076
6 H MET 16 H MET 16 -7.990 -5.483 -0.634
7 HA MET 16 HA MET 16 -8.663 -4.223 -3.182
8 1HB MET 16 2HB MET 16 -9.817 -3.341 -0.527
9 2HB MET 16 1HB MET 16 -10.006 -2.494 -2.052
10 1HG MET 16 2HG MET 16 -11.016 -5.266 -1.476
11 2HG MET 16 1HG MET 16 -11.986 -3.796 -1.433
12 1HE MET 16 1HE MET 16 -12.714 -2.419 -3.560
13 2HE MET 16 2HE MET 16 -12.018 -2.676 -5.161
14 3HE MET 16 3HE MET 16 -10.999 -2.111 -3.836
15 H TRP 17 H TRP 17 -6.234 -4.250 -3.027
16 HA TRP 17 HA TRP 17 -5.317 -1.824 -1.632
17 1HB TRP 17 2HB TRP 17 -3.670 -4.340 -1.931
18 2HB TRP 17 1HB TRP 17 -3.225 -2.880 -1.058
19 HD1 TRP 17 HD TRP 17 -5.737 -5.808 -0.814
20 HE1 TRP 17 1HE TRP 17 -6.292 -6.169 1.673
21 HE3 TRP 17 3HE TRP 17 -3.179 -1.851 1.178
22 HZ2 TRP 17 2HZ TRP 17 -5.723 -4.948 4.147
23 HZ3 TRP 17 3HZ TRP 17 -3.236 -1.525 3.616
24 HH2 TRP 17 HH TRP 17 -4.483 -3.040 5.067
25 H THR 18 H THR 18 -3.610 -0.689 -2.624
26 HA THR 18 HA THR 18 -3.173 -1.380 -5.458
27 HB THR 18 HB THR 18 -2.760 1.004 -5.873
28 HG1 THR 18 1HG THR 18 -2.058 1.789 -3.933
29 1HG2 THR 18 1HG2 THR 18 -5.040 0.145 -6.133
30 2HG2 THR 18 2HG2 THR 18 -5.050 1.820 -5.583
31 3HG2 THR 18 3HG2 THR 18 -5.374 0.515 -4.441
32 H GLU 19 H GLU 19 -1.048 -1.078 -6.311
33 HA GLU 19 HA GLU 19 1.015 -1.304 -4.234
34 1HB GLU 19 2HB GLU 19 0.634 -3.166 -5.923
35 2HB GLU 19 1HB GLU 19 1.291 -2.078 -7.135
36 1HG GLU 19 2HG GLU 19 2.791 -2.836 -4.647
37 2HG GLU 19 1HG GLU 19 2.883 -3.763 -6.143
38 H HIS 20 H HIS 20 2.587 0.115 -4.026
39 HA HIS 20 HA HIS 20 3.396 1.839 -6.216
40 1HB HIS 20 2HB HIS 20 2.049 2.833 -3.726
41 2HB HIS 20 1HB HIS 20 3.258 3.827 -4.531
42 HD1 HIS 20 1HD HIS 20 2.692 4.318 -7.160
43 HD2 HIS 20 2HD HIS 20 -0.457 3.120 -4.729
44 HE1 HIS 20 1HE HIS 20 0.604 4.996 -8.384
45 HE2 HIS 20 2HE HIS 20 -1.287 4.331 -6.858
46 H LYS 21 H LYS 21 5.340 3.205 -5.516
47 HA LYS 21 HA LYS 21 6.884 1.704 -3.505
48 1HB LYS 21 2HB LYS 21 7.836 2.777 -6.159
49 2HB LYS 21 1HB LYS 21 8.899 2.134 -4.916
50 1HG LYS 21 2HG LYS 21 7.660 -0.022 -5.066
51 2HG LYS 21 1HG LYS 21 6.768 0.646 -6.434
52 1HD LYS 21 2HD LYS 21 9.771 0.398 -6.315
53 2HD LYS 21 1HD LYS 21 8.705 -0.774 -7.089
54 1HE LYS 21 2HE LYS 21 7.894 0.972 -8.603
55 2HE LYS 21 1HE LYS 21 8.964 2.140 -7.827
56 1HZ LYS 21 1HZ LYS 21 10.860 0.823 -8.542
57 2HZ LYS 21 2HZ LYS 21 9.922 1.287 -9.871
58 3HZ LYS 21 3HZ LYS 21 9.832 -0.298 -9.287
59 H SER 22 H SER 22 7.333 2.920 -1.821
60 HA SER 22 HA SER 22 7.128 5.650 -1.574
61 1HB SER 22 2HB SER 22 7.347 4.049 0.319
62 2HB SER 22 1HB SER 22 9.055 3.868 -0.068
63 HG SER 22 HG SER 22 9.464 5.801 0.725
64 HA PRO 23 HA PRO 23 10.471 7.460 -3.812
65 1HB PRO 23 2HB PRO 23 10.648 9.412 -1.588
66 2HB PRO 23 1HB PRO 23 10.359 9.688 -3.311
67 1HG PRO 23 2HG PRO 23 8.380 9.930 -1.546
68 2HG PRO 23 1HG PRO 23 8.094 9.208 -3.141
69 1HD PRO 23 2HD PRO 23 8.442 7.863 -0.486
70 2HD PRO 23 1HD PRO 23 7.295 7.494 -1.788
71 H ASP 24 H ASP 24 10.832 6.596 -0.457
72 HA ASP 24 HA ASP 24 13.674 7.033 -0.388
73 1HB ASP 24 2HB ASP 24 11.865 5.500 1.495
74 2HB ASP 24 1HB ASP 24 13.557 5.881 1.803
75 H GLY 25 H GLY 25 12.059 5.018 -2.209
76 1HA GLY 25 2HA GLY 25 12.856 3.207 -3.428
77 2HA GLY 25 1HA GLY 25 14.212 3.090 -2.318
78 H ARG 26 H ARG 26 10.799 3.120 -1.425
79 HA ARG 26 HA ARG 26 11.105 0.324 -0.523
80 1HB ARG 26 2HB ARG 26 9.149 2.125 0.819
81 2HB ARG 26 1HB ARG 26 10.050 0.765 1.472
82 1HG ARG 26 2HG ARG 26 11.214 3.459 0.820
83 2HG ARG 26 1HG ARG 26 10.738 2.916 2.428
84 1HD ARG 26 2HD ARG 26 12.406 1.212 2.434
85 2HD ARG 26 1HD ARG 26 12.763 1.474 0.728
86 HE ARG 26 HE ARG 26 13.252 3.877 1.986
87 1HH1 ARG 26 1HH1 ARG 26 14.448 0.611 2.216
88 2HH1 ARG 26 2HH1 ARG 26 16.035 1.094 2.713
89 1HH2 ARG 26 1HH2 ARG 26 15.336 4.518 2.635
90 2HH2 ARG 26 2HH2 ARG 26 16.541 3.313 2.951
91 H THR 27 H THR 27 8.980 -0.815 -0.261
92 HA THR 27 HA THR 27 7.177 -0.069 -2.471
93 HB THR 27 HB THR 27 7.621 -2.804 -1.251
94 HG1 THR 27 1HG THR 27 9.393 -2.283 -2.504
95 1HG2 THR 27 1HG2 THR 27 5.361 -2.559 -2.112
96 2HG2 THR 27 2HG2 THR 27 6.300 -3.602 -3.181
97 3HG2 THR 27 3HG2 THR 27 5.986 -1.927 -3.635
98 H TYR 28 H TYR 28 5.503 1.040 -1.602
99 HA TYR 28 HA TYR 28 4.292 -0.039 0.854
100 1HB TYR 28 2HB TYR 28 3.680 2.101 1.521
101 2HB TYR 28 1HB TYR 28 5.249 2.373 0.772
102 HD1 TYR 28 1HD TYR 28 1.684 3.059 0.619
103 HD2 TYR 28 2HD TYR 28 5.377 3.452 -1.461
104 HE1 TYR 28 1HE TYR 28 0.683 4.783 -0.820
105 HE2 TYR 28 2HE TYR 28 4.384 5.176 -2.906
106 HH TYR 28 HH TYR 28 1.416 6.675 -2.226
107 H TYR 29 H TYR 29 1.901 0.278 1.039
108 HA TYR 29 HA TYR 29 0.603 0.028 -1.595
109 1HB TYR 29 2HB TYR 29 0.115 -1.693 0.841
110 2HB TYR 29 1HB TYR 29 -0.877 -1.719 -0.612
111 HD1 TYR 29 1HD TYR 29 2.541 -2.369 0.667
112 HD2 TYR 29 2HD TYR 29 -0.243 -2.999 -2.488
113 HE1 TYR 29 1HE TYR 29 4.053 -4.035 -0.325
114 HE2 TYR 29 2HE TYR 29 1.261 -4.669 -3.488
115 HH TYR 29 HH TYR 29 3.907 -5.981 -1.842
116 H TYR 30 H TYR 30 -1.413 0.898 -1.819
117 HA TYR 30 HA TYR 30 -2.396 2.470 0.474
118 1HB TYR 30 2HB TYR 30 -1.695 3.958 -1.273
119 2HB TYR 30 1HB TYR 30 -2.535 3.019 -2.497
120 HD1 TYR 30 1HD TYR 30 -2.828 5.650 -0.013
121 HD2 TYR 30 2HD TYR 30 -5.020 3.099 -2.619
122 HE1 TYR 30 1HE TYR 30 -4.789 7.108 0.220
123 HE2 TYR 30 2HE TYR 30 -6.990 4.554 -2.391
124 HH TYR 30 HH TYR 30 -7.893 6.204 -0.804
125 H ASN 31 H ASN 31 -4.016 1.421 1.399
126 HA ASN 31 HA ASN 31 -5.674 -0.475 0.134
127 1HB ASN 31 2HB ASN 31 -5.251 -0.342 2.594
128 2HB ASN 31 1HB ASN 31 -6.266 1.094 2.652
129 1HD2 ASN 31 1HD2 ASN 31 -6.180 -2.340 2.346
130 2HD2 ASN 31 2HD2 ASN 31 -7.881 -2.605 2.474
131 H THR 32 H THR 32 -7.305 -0.183 -1.220
132 HA THR 32 HA THR 32 -8.372 2.479 -1.652
133 HB THR 32 HB THR 32 -7.821 1.243 -3.635
134 HG1 THR 32 1HG THR 32 -10.272 0.954 -4.335
135 1HG2 THR 32 1HG2 THR 32 -9.009 -0.850 -4.226
136 2HG2 THR 32 2HG2 THR 32 -9.722 -0.869 -2.614
137 3HG2 THR 32 3HG2 THR 32 -7.979 -1.029 -2.807
138 H GLU 33 H GLU 33 -9.195 -0.115 0.307
139 HA GLU 33 HA GLU 33 -12.065 0.174 0.070
140 1HB GLU 33 2HB GLU 33 -11.044 -2.011 0.622
141 2HB GLU 33 1HB GLU 33 -10.434 -1.333 2.125
142 1HG GLU 33 2HG GLU 33 -12.692 -0.980 2.919
143 2HG GLU 33 1HG GLU 33 -13.343 -1.560 1.386
144 H THR 34 H THR 34 -10.040 0.323 2.984
145 HA THR 34 HA THR 34 -11.784 2.136 4.302
146 HB THR 34 HB THR 34 -8.898 1.563 5.007
147 HG1 THR 34 1HG THR 34 -11.039 0.220 6.228
148 1HG2 THR 34 1HG2 THR 34 -9.629 2.087 7.291
149 2HG2 THR 34 2HG2 THR 34 -11.244 2.457 6.688
150 3HG2 THR 34 3HG2 THR 34 -9.873 3.455 6.206
151 H LYS 35 H LYS 35 -9.336 2.488 2.000
152 HA LYS 35 HA LYS 35 -8.490 4.275 0.892
153 1HB LYS 35 2HB LYS 35 -10.277 5.999 2.616
154 2HB LYS 35 1HB LYS 35 -9.515 6.454 1.098
155 1HG LYS 35 2HG LYS 35 -10.881 4.820 -0.090
156 2HG LYS 35 1HG LYS 35 -11.639 4.345 1.433
157 1HD LYS 35 2HD LYS 35 -12.464 6.658 1.705
158 2HD LYS 35 1HD LYS 35 -11.765 7.069 0.137
159 1HE LYS 35 2HE LYS 35 -13.202 5.383 -0.926
160 2HE LYS 35 1HE LYS 35 -13.914 5.013 0.644
161 1HZ LYS 35 1HZ LYS 35 -14.694 7.316 0.766
162 2HZ LYS 35 2HZ LYS 35 -15.327 6.509 -0.578
163 3HZ LYS 35 3HZ LYS 35 -14.065 7.616 -0.777
164 H GLN 36 H GLN 36 -6.689 3.435 2.355
165 HA GLN 36 HA GLN 36 -5.425 5.763 3.535
166 1HB GLN 36 2HB GLN 36 -4.915 4.682 5.650
167 2HB GLN 36 1HB GLN 36 -6.659 4.753 5.422
168 1HG GLN 36 2HG GLN 36 -6.761 2.449 4.860
169 2HG GLN 36 1HG GLN 36 -5.003 2.329 4.772
170 1HE2 GLN 36 1HE2 GLN 36 -3.804 2.377 6.706
171 2HE2 GLN 36 2HE2 GLN 36 -4.531 2.004 8.228
172 H SER 37 H SER 37 -3.123 5.268 4.123
173 HA SER 37 HA SER 37 -2.058 3.272 2.246
174 1HB SER 37 2HB SER 37 -1.081 5.939 3.161
175 2HB SER 37 1HB SER 37 0.103 4.724 2.683
176 HG SER 37 HG SER 37 -0.347 5.274 0.720
177 H THR 38 H THR 38 -0.237 2.010 2.873
178 HA THR 38 HA THR 38 0.401 1.914 5.708
179 HB THR 38 HB THR 38 -1.611 0.462 5.394
180 HG1 THR 38 1HG THR 38 0.806 -0.244 6.478
181 1HG2 THR 38 1HG2 THR 38 -1.133 -0.319 3.121
182 2HG2 THR 38 2HG2 THR 38 -1.336 -1.679 4.226
183 3HG2 THR 38 3HG2 THR 38 0.281 -1.196 3.710
184 H TRP 39 H TRP 39 2.154 0.379 6.184
185 HA TRP 39 HA TRP 39 4.086 0.271 3.965
186 1HB TRP 39 2HB TRP 39 4.404 0.267 6.971
187 2HB TRP 39 1HB TRP 39 5.727 -0.121 5.881
188 HD1 TRP 39 HD TRP 39 4.016 2.767 7.499
189 HE1 TRP 39 1HE TRP 39 5.056 4.972 6.667
190 HE3 TRP 39 3HE TRP 39 6.734 0.941 3.579
191 HZ2 TRP 39 2HZ TRP 39 6.804 5.818 4.613
192 HZ3 TRP 39 3HZ TRP 39 8.060 2.507 2.232
193 HH2 TRP 39 HH TRP 39 8.099 4.896 2.739
194 H GLU 40 H GLU 40 5.498 -1.600 3.832
195 HA GLU 40 HA GLU 40 5.936 -3.821 3.672
196 1HB GLU 40 2HB GLU 40 6.019 -3.689 6.134
197 2HB GLU 40 1HB GLU 40 4.295 -4.024 6.203
198 1HG GLU 40 2HG GLU 40 5.552 -6.020 6.694
199 2HG GLU 40 1HG GLU 40 4.686 -6.211 5.171
200 H LYS 41 H LYS 41 5.138 -5.464 2.502
201 HA LYS 41 HA LYS 41 2.539 -5.283 1.423
202 1HB LYS 41 2HB LYS 41 3.068 -7.457 0.350
203 2HB LYS 41 1HB LYS 41 4.335 -6.258 0.133
204 1HG LYS 41 2HG LYS 41 5.627 -7.310 1.929
205 2HG LYS 41 1HG LYS 41 4.360 -8.522 2.118
206 1HD LYS 41 2HD LYS 41 4.724 -9.259 -0.190
207 2HD LYS 41 1HD LYS 41 5.994 -8.046 -0.375
208 1HE LYS 41 2HE LYS 41 6.007 -10.341 1.582
209 2HE LYS 41 1HE LYS 41 6.927 -10.261 0.081
210 1HZ LYS 41 1HZ LYS 41 8.295 -9.677 1.979
211 2HZ LYS 41 2HZ LYS 41 7.232 -8.429 2.398
212 3HZ LYS 41 3HZ LYS 41 8.110 -8.341 0.956
213 HA PRO 42 HA PRO 42 0.376 -7.405 4.712
214 1HB PRO 42 2HB PRO 42 -2.059 -7.519 3.542
215 2HB PRO 42 1HB PRO 42 -1.402 -6.026 4.222
216 1HG PRO 42 2HG PRO 42 -1.476 -6.937 1.371
217 2HG PRO 42 1HG PRO 42 -1.825 -5.333 2.041
218 1HD PRO 42 2HD PRO 42 0.547 -5.959 0.880
219 2HD PRO 42 1HD PRO 42 0.402 -4.774 2.194
220 HA PRO 5 HA PRO 5 -1.547 8.740 -7.351
221 1HB PRO 5 2HB PRO 5 0.669 10.109 -6.076
222 2HB PRO 5 1HB PRO 5 0.674 9.149 -7.556
223 1HG PRO 5 2HG PRO 5 1.078 11.842 -7.521
224 2HG PRO 5 1HG PRO 5 0.366 10.979 -8.897
225 1HD PRO 5 2HD PRO 5 -0.997 12.546 -6.733
226 2HD PRO 5 1HD PRO 5 -1.323 12.520 -8.480
227 HA PRO 6 HA PRO 6 -2.793 8.611 -3.083
228 1HB PRO 6 2HB PRO 6 -1.362 6.104 -2.710
229 2HB PRO 6 1HB PRO 6 -3.100 6.387 -2.803
230 1HG PRO 6 2HG PRO 6 -1.730 5.069 -4.729
231 2HG PRO 6 1HG PRO 6 -3.170 6.043 -5.070
232 1HD PRO 6 2HD PRO 6 -0.278 6.769 -5.421
233 2HD PRO 6 1HD PRO 6 -1.653 7.064 -6.511
234 HA PRO 7 HA PRO 7 0.696 10.066 -0.796
235 1HB PRO 7 2HB PRO 7 -0.362 10.213 1.657
236 2HB PRO 7 1HB PRO 7 -0.917 11.260 0.344
237 1HG PRO 7 2HG PRO 7 -2.172 8.790 1.459
238 2HG PRO 7 1HG PRO 7 -2.939 10.302 0.940
239 1HD PRO 7 2HD PRO 7 -2.805 7.990 -0.578
240 2HD PRO 7 1HD PRO 7 -3.048 9.624 -1.235
241 H LEU 8 H LEU 8 2.366 9.412 0.508
242 HA LEU 8 HA LEU 8 2.595 6.589 1.004
243 1HB LEU 8 2HB LEU 8 4.482 7.910 0.184
244 2HB LEU 8 1HB LEU 8 4.428 8.916 1.621
245 HG LEU 8 HG LEU 8 4.902 6.717 2.903
246 1HD1 LEU 8 1HD1 LEU 8 5.998 5.926 0.220
247 2HD1 LEU 8 2HD1 LEU 8 4.449 5.348 0.831
248 3HD1 LEU 8 3HD1 LEU 8 5.934 4.970 1.699
249 1HD2 LEU 8 1HD2 LEU 8 6.992 7.977 1.127
250 2HD2 LEU 8 2HD2 LEU 8 7.309 7.010 2.569
251 3HD2 LEU 8 3HD2 LEU 8 6.483 8.563 2.710
252 HA PRO 9 HA PRO 9 1.295 6.793 5.261
253 1HB PRO 9 2HB PRO 9 2.700 4.405 5.983
254 2HB PRO 9 1HB PRO 9 0.987 4.587 5.611
255 1HG PRO 9 2HG PRO 9 2.832 3.211 4.063
256 2HG PRO 9 1HG PRO 9 1.255 3.793 3.508
257 1HD PRO 9 2HD PRO 9 3.964 4.933 3.067
258 2HD PRO 9 1HD PRO 9 2.534 4.971 2.016
259 HA PRO 10 HA PRO 10 4.795 8.400 7.480
260 1HB PRO 10 2HB PRO 10 3.697 8.766 9.899
261 2HB PRO 10 1HB PRO 10 3.204 9.736 8.507
262 1HG PRO 10 2HG PRO 10 1.849 7.373 9.742
263 2HG PRO 10 1HG PRO 10 1.139 8.885 9.148
264 1HD PRO 10 2HD PRO 10 1.169 6.533 7.729
265 2HD PRO 10 1HD PRO 10 1.081 8.142 6.986
Start of MODEL 6
1 H SER 15 H SER 15 -9.025 -7.785 0.025
2 HA SER 15 HA SER 15 -7.421 -7.414 -2.420
3 1HB SER 15 2HB SER 15 -10.434 -7.552 -2.129
4 2HB SER 15 1HB SER 15 -9.564 -7.293 -3.642
5 HG SER 15 HG SER 15 -9.038 -9.548 -2.033
6 H MET 16 H MET 16 -8.554 -5.489 -3.746
7 HA MET 16 HA MET 16 -8.856 -3.248 -3.947
8 1HB MET 16 2HB MET 16 -9.984 -3.735 -1.220
9 2HB MET 16 1HB MET 16 -9.742 -2.080 -1.759
10 1HG MET 16 2HG MET 16 -12.011 -2.838 -2.184
11 2HG MET 16 1HG MET 16 -11.161 -2.478 -3.686
12 1HE MET 16 1HE MET 16 -12.949 -3.717 -5.083
13 2HE MET 16 2HE MET 16 -13.883 -4.172 -3.656
14 3HE MET 16 3HE MET 16 -13.437 -5.396 -4.845
15 H TRP 17 H TRP 17 -6.350 -3.804 -3.830
16 HA TRP 17 HA TRP 17 -5.186 -1.782 -2.039
17 1HB TRP 17 2HB TRP 17 -4.108 -4.548 -2.591
18 2HB TRP 17 1HB TRP 17 -3.145 -3.262 -1.882
19 HD1 TRP 17 HD TRP 17 -6.040 -5.625 -1.070
20 HE1 TRP 17 1HE TRP 17 -6.361 -5.677 1.482
21 HE3 TRP 17 3HE TRP 17 -2.792 -1.899 0.229
22 HZ2 TRP 17 2HZ TRP 17 -5.363 -4.321 3.749
23 HZ3 TRP 17 3HZ TRP 17 -2.531 -1.344 2.607
24 HH2 TRP 17 HH TRP 17 -3.790 -2.528 4.330
25 H THR 18 H THR 18 -3.622 -0.506 -2.916
26 HA THR 18 HA THR 18 -2.986 -0.967 -5.757
27 HB THR 18 HB THR 18 -2.425 1.511 -5.775
28 HG1 THR 18 1HG THR 18 -4.116 1.999 -3.665
29 1HG2 THR 18 1HG2 THR 18 -4.478 0.673 -6.773
30 2HG2 THR 18 2HG2 THR 18 -4.787 2.206 -5.956
31 3HG2 THR 18 3HG2 THR 18 -5.275 0.689 -5.200
32 H GLU 19 H GLU 19 -0.851 -0.863 -6.436
33 HA GLU 19 HA GLU 19 1.117 -1.025 -4.262
34 1HB GLU 19 2HB GLU 19 0.927 -3.017 -5.659
35 2HB GLU 19 1HB GLU 19 1.254 -2.059 -7.097
36 1HG GLU 19 2HG GLU 19 3.485 -1.518 -6.170
37 2HG GLU 19 1HG GLU 19 3.145 -2.598 -4.819
38 H HIS 20 H HIS 20 2.694 0.387 -4.050
39 HA HIS 20 HA HIS 20 3.643 1.947 -6.316
40 1HB HIS 20 2HB HIS 20 2.319 3.137 -3.889
41 2HB HIS 20 1HB HIS 20 3.530 4.039 -4.793
42 HD1 HIS 20 1HD HIS 20 2.899 4.726 -7.246
43 HD2 HIS 20 2HD HIS 20 -0.190 3.013 -5.054
44 HE1 HIS 20 1HE HIS 20 0.796 5.253 -8.520
45 HE2 HIS 20 2HE HIS 20 -1.047 4.125 -7.226
46 H LYS 21 H LYS 21 5.718 2.983 -5.869
47 HA LYS 21 HA LYS 21 7.121 1.585 -3.691
48 1HB LYS 21 2HB LYS 21 7.720 1.144 -6.154
49 2HB LYS 21 1HB LYS 21 8.468 2.735 -6.117
50 1HG LYS 21 2HG LYS 21 10.028 2.057 -4.464
51 2HG LYS 21 1HG LYS 21 9.166 0.542 -4.182
52 1HD LYS 21 2HD LYS 21 9.669 -0.091 -6.546
53 2HD LYS 21 1HD LYS 21 10.679 1.353 -6.662
54 1HE LYS 21 2HE LYS 21 11.058 -0.948 -4.747
55 2HE LYS 21 1HE LYS 21 12.034 -0.610 -6.177
56 1HZ LYS 21 1HZ LYS 21 12.704 1.489 -5.158
57 2HZ LYS 21 2HZ LYS 21 13.133 0.170 -4.191
58 3HZ LYS 21 3HZ LYS 21 11.798 1.122 -3.777
59 H SER 22 H SER 22 7.337 2.887 -2.005
60 HA SER 22 HA SER 22 7.311 5.589 -1.805
61 1HB SER 22 2HB SER 22 7.358 4.203 0.165
62 2HB SER 22 1HB SER 22 8.973 3.624 -0.213
63 HG SER 22 HG SER 22 9.276 6.165 -0.156
64 HA PRO 23 HA PRO 23 10.741 7.194 -4.129
65 1HB PRO 23 2HB PRO 23 10.718 9.275 -1.997
66 2HB PRO 23 1HB PRO 23 10.684 9.461 -3.756
67 1HG PRO 23 2HG PRO 23 8.480 9.824 -2.310
68 2HG PRO 23 1HG PRO 23 8.411 9.020 -3.888
69 1HD PRO 23 2HD PRO 23 8.255 7.842 -1.150
70 2HD PRO 23 1HD PRO 23 7.415 7.362 -2.638
71 H ASP 24 H ASP 24 10.917 7.034 -0.593
72 HA ASP 24 HA ASP 24 13.660 7.399 -0.281
73 1HB ASP 24 2HB ASP 24 12.079 7.340 1.605
74 2HB ASP 24 1HB ASP 24 11.826 5.617 1.343
75 H GLY 25 H GLY 25 11.838 4.670 -1.403
76 1HA GLY 25 2HA GLY 25 13.129 3.186 -2.925
77 2HA GLY 25 1HA GLY 25 14.356 3.139 -1.666
78 H ARG 26 H ARG 26 10.883 3.018 -1.136
79 HA ARG 26 HA ARG 26 11.158 0.201 -0.301
80 1HB ARG 26 2HB ARG 26 9.220 1.975 1.104
81 2HB ARG 26 1HB ARG 26 10.062 0.555 1.699
82 1HG ARG 26 2HG ARG 26 11.336 3.237 1.221
83 2HG ARG 26 1HG ARG 26 10.767 2.652 2.784
84 1HD ARG 26 2HD ARG 26 12.893 1.341 1.093
85 2HD ARG 26 1HD ARG 26 13.190 2.346 2.510
86 HE ARG 26 HE ARG 26 11.557 0.415 3.461
87 1HH1 ARG 26 1HH1 ARG 26 14.522 0.339 1.629
88 2HH1 ARG 26 2HH1 ARG 26 15.043 -1.174 2.289
89 1HH2 ARG 26 1HH2 ARG 26 12.236 -1.578 4.336
90 2HH2 ARG 26 2HH2 ARG 26 13.743 -2.264 3.827
91 H THR 27 H THR 27 8.995 -0.906 -0.148
92 HA THR 27 HA THR 27 7.284 0.004 -2.363
93 HB THR 27 HB THR 27 7.434 -2.782 -1.196
94 HG1 THR 27 1HG THR 27 9.238 -1.578 -2.672
95 1HG2 THR 27 1HG2 THR 27 6.248 -1.749 -3.775
96 2HG2 THR 27 2HG2 THR 27 5.333 -2.242 -2.349
97 3HG2 THR 27 3HG2 THR 27 6.275 -3.431 -3.248
98 H TYR 28 H TYR 28 5.657 1.191 -1.511
99 HA TYR 28 HA TYR 28 4.335 0.173 0.911
100 1HB TYR 28 2HB TYR 28 3.738 2.346 1.486
101 2HB TYR 28 1HB TYR 28 5.331 2.567 0.771
102 HD1 TYR 28 1HD TYR 28 5.588 3.723 -1.349
103 HD2 TYR 28 2HD TYR 28 1.730 3.128 0.344
104 HE1 TYR 28 1HE TYR 28 4.658 5.398 -2.891
105 HE2 TYR 28 2HE TYR 28 0.790 4.798 -1.195
106 HH TYR 28 HH TYR 28 1.529 6.706 -2.524
107 H TYR 29 H TYR 29 1.949 0.520 1.026
108 HA TYR 29 HA TYR 29 0.689 0.323 -1.623
109 1HB TYR 29 2HB TYR 29 0.165 -1.532 0.707
110 2HB TYR 29 1HB TYR 29 -0.737 -1.521 -0.806
111 HD1 TYR 29 1HD TYR 29 0.065 -2.679 -2.704
112 HD2 TYR 29 2HD TYR 29 2.612 -2.129 0.660
113 HE1 TYR 29 1HE TYR 29 1.692 -4.242 -3.684
114 HE2 TYR 29 2HE TYR 29 4.243 -3.689 -0.309
115 HH TYR 29 HH TYR 29 4.093 -4.737 -3.535
116 H TYR 30 H TYR 30 -1.553 0.826 -1.684
117 HA TYR 30 HA TYR 30 -2.481 2.411 0.622
118 1HB TYR 30 2HB TYR 30 -1.821 3.938 -1.133
119 2HB TYR 30 1HB TYR 30 -2.740 3.033 -2.326
120 HD1 TYR 30 1HD TYR 30 -2.851 5.605 0.213
121 HD2 TYR 30 2HD TYR 30 -5.233 3.091 -2.256
122 HE1 TYR 30 1HE TYR 30 -4.787 7.062 0.610
123 HE2 TYR 30 2HE TYR 30 -7.180 4.543 -1.866
124 HH TYR 30 HH TYR 30 -7.958 6.166 -0.180
125 H ASN 31 H ASN 31 -4.177 1.458 1.514
126 HA ASN 31 HA ASN 31 -5.778 -0.456 0.090
127 1HB ASN 31 2HB ASN 31 -5.184 -0.587 2.548
128 2HB ASN 31 1HB ASN 31 -6.325 0.723 2.819
129 1HD2 ASN 31 1HD2 ASN 31 -7.625 -0.551 4.120
130 2HD2 ASN 31 2HD2 ASN 31 -8.629 -1.803 3.478
131 H THR 32 H THR 32 -7.451 0.028 -1.172
132 HA THR 32 HA THR 32 -8.625 2.684 -1.038
133 HB THR 32 HB THR 32 -8.151 1.883 -3.254
134 HG1 THR 32 1HG THR 32 -10.096 3.088 -3.009
135 1HG2 THR 32 1HG2 THR 32 -8.191 -0.513 -2.862
136 2HG2 THR 32 2HG2 THR 32 -9.284 -0.103 -4.186
137 3HG2 THR 32 3HG2 THR 32 -9.933 -0.462 -2.586
138 H GLU 33 H GLU 33 -9.245 -0.393 0.223
139 HA GLU 33 HA GLU 33 -12.101 -0.266 0.304
140 1HB GLU 33 2HB GLU 33 -10.611 -2.348 0.525
141 2HB GLU 33 1HB GLU 33 -10.364 -1.850 2.192
142 1HG GLU 33 2HG GLU 33 -13.062 -2.372 0.969
143 2HG GLU 33 1HG GLU 33 -12.131 -3.567 1.873
144 H THR 34 H THR 34 -9.574 0.184 2.776
145 HA THR 34 HA THR 34 -11.479 1.423 4.583
146 HB THR 34 HB THR 34 -8.494 1.096 4.939
147 HG1 THR 34 1HG THR 34 -9.676 -0.919 4.665
148 1HG2 THR 34 1HG2 THR 34 -9.008 1.319 7.329
149 2HG2 THR 34 2HG2 THR 34 -10.708 1.577 6.938
150 3HG2 THR 34 3HG2 THR 34 -9.499 2.755 6.428
151 H LYS 35 H LYS 35 -9.135 2.297 2.249
152 HA LYS 35 HA LYS 35 -8.614 4.278 1.278
153 1HB LYS 35 2HB LYS 35 -10.565 5.526 3.210
154 2HB LYS 35 1HB LYS 35 -9.870 6.300 1.793
155 1HG LYS 35 2HG LYS 35 -10.970 4.607 0.373
156 2HG LYS 35 1HG LYS 35 -11.731 3.934 1.818
157 1HD LYS 35 2HD LYS 35 -13.357 5.361 0.917
158 2HD LYS 35 1HD LYS 35 -12.618 6.296 2.219
159 1HE LYS 35 2HE LYS 35 -11.186 7.428 0.578
160 2HE LYS 35 1HE LYS 35 -11.962 6.516 -0.716
161 1HZ LYS 35 1HZ LYS 35 -12.918 8.710 -0.534
162 2HZ LYS 35 2HZ LYS 35 -13.293 8.458 1.095
163 3HZ LYS 35 3HZ LYS 35 -14.074 7.553 -0.101
164 H GLN 36 H GLN 36 -6.660 3.536 2.580
165 HA GLN 36 HA GLN 36 -5.542 5.880 3.813
166 1HB GLN 36 2HB GLN 36 -4.885 4.756 5.907
167 2HB GLN 36 1HB GLN 36 -6.631 4.906 5.755
168 1HG GLN 36 2HG GLN 36 -6.870 2.612 5.215
169 2HG GLN 36 1HG GLN 36 -5.133 2.420 5.016
170 1HE2 GLN 36 1HE2 GLN 36 -6.412 4.316 7.580
171 2HE2 GLN 36 2HE2 GLN 36 -6.048 3.228 8.869
172 H SER 37 H SER 37 -3.215 5.522 4.374
173 HA SER 37 HA SER 37 -2.031 3.653 2.436
174 1HB SER 37 2HB SER 37 -0.677 6.012 3.756
175 2HB SER 37 1HB SER 37 -0.143 5.120 2.331
176 HG SER 37 HG SER 37 -1.269 7.214 2.002
177 H THR 38 H THR 38 -0.420 2.220 3.051
178 HA THR 38 HA THR 38 0.554 2.242 5.779
179 HB THR 38 HB THR 38 -1.648 1.049 5.887
180 HG1 THR 38 1HG THR 38 -0.328 0.426 7.496
181 1HG2 THR 38 1HG2 THR 38 -0.199 -0.992 4.192
182 2HG2 THR 38 2HG2 THR 38 -1.590 -0.028 3.697
183 3HG2 THR 38 3HG2 THR 38 -1.762 -1.230 4.974
184 H TRP 39 H TRP 39 2.095 0.470 6.200
185 HA TRP 39 HA TRP 39 3.684 -0.128 3.788
186 1HB TRP 39 2HB TRP 39 4.443 -0.109 6.724
187 2HB TRP 39 1HB TRP 39 5.530 -0.499 5.399
188 HD1 TRP 39 HD TRP 39 4.093 2.445 7.280
189 HE1 TRP 39 1HE TRP 39 5.152 4.610 6.354
190 HE3 TRP 39 3HE TRP 39 6.380 0.497 3.172
191 HZ2 TRP 39 2HZ TRP 39 6.762 5.370 4.139
192 HZ3 TRP 39 3HZ TRP 39 7.648 1.983 1.703
193 HH2 TRP 39 HH TRP 39 7.849 4.367 2.176
194 H GLU 40 H GLU 40 2.960 -2.098 3.041
195 HA GLU 40 HA GLU 40 3.723 -4.490 4.145
196 1HB GLU 40 2HB GLU 40 2.194 -4.082 6.004
197 2HB GLU 40 1HB GLU 40 0.859 -3.847 4.884
198 1HG GLU 40 2HG GLU 40 0.740 -6.032 5.904
199 2HG GLU 40 1HG GLU 40 1.048 -6.178 4.173
200 H LYS 41 H LYS 41 3.559 -6.030 2.628
201 HA LYS 41 HA LYS 41 1.995 -5.423 0.249
202 1HB LYS 41 2HB LYS 41 3.264 -7.320 -0.761
203 2HB LYS 41 1HB LYS 41 4.284 -6.022 -0.157
204 1HG LYS 41 2HG LYS 41 4.852 -7.306 1.793
205 2HG LYS 41 1HG LYS 41 3.713 -8.573 1.336
206 1HD LYS 41 2HD LYS 41 5.955 -9.260 0.757
207 2HD LYS 41 1HD LYS 41 5.034 -8.965 -0.718
208 1HE LYS 41 2HE LYS 41 7.290 -8.047 -0.885
209 2HE LYS 41 1HE LYS 41 6.075 -6.770 -0.940
210 1HZ LYS 41 1HZ LYS 41 7.918 -6.159 0.486
211 2HZ LYS 41 2HZ LYS 41 7.678 -7.535 1.441
212 3HZ LYS 41 3HZ LYS 41 6.502 -6.320 1.400
213 HA PRO 42 HA PRO 42 -1.115 -8.366 1.539
214 1HB PRO 42 2HB PRO 42 -2.735 -8.174 -0.599
215 2HB PRO 42 1HB PRO 42 -2.605 -6.872 0.591
216 1HG PRO 42 2HG PRO 42 -1.315 -7.116 -2.099
217 2HG PRO 42 1HG PRO 42 -2.080 -5.703 -1.350
218 1HD PRO 42 2HD PRO 42 0.624 -6.111 -1.404
219 2HD PRO 42 1HD PRO 42 -0.204 -5.176 -0.144
220 HA PRO 5 HA PRO 5 -2.130 8.003 -7.267
221 1HB PRO 5 2HB PRO 5 0.151 9.219 -6.501
222 2HB PRO 5 1HB PRO 5 -0.243 8.941 -8.202
223 1HG PRO 5 2HG PRO 5 -0.490 11.440 -6.580
224 2HG PRO 5 1HG PRO 5 0.062 11.234 -8.253
225 1HD PRO 5 2HD PRO 5 -2.459 12.071 -7.562
226 2HD PRO 5 1HD PRO 5 -2.070 11.248 -9.084
227 HA PRO 6 HA PRO 6 -2.981 8.232 -2.922
228 1HB PRO 6 2HB PRO 6 -1.816 5.979 -2.078
229 2HB PRO 6 1HB PRO 6 -3.233 5.948 -3.135
230 1HG PRO 6 2HG PRO 6 -0.340 5.627 -3.841
231 2HG PRO 6 1HG PRO 6 -1.733 4.664 -4.376
232 1HD PRO 6 2HD PRO 6 -0.623 6.659 -5.873
233 2HD PRO 6 1HD PRO 6 -2.338 6.212 -5.971
234 HA PRO 7 HA PRO 7 0.566 10.008 -0.916
235 1HB PRO 7 2HB PRO 7 -0.389 10.209 1.579
236 2HB PRO 7 1HB PRO 7 -1.045 11.189 0.263
237 1HG PRO 7 2HG PRO 7 -2.140 8.695 1.497
238 2HG PRO 7 1HG PRO 7 -2.995 10.168 1.001
239 1HD PRO 7 2HD PRO 7 -2.888 7.860 -0.493
240 2HD PRO 7 1HD PRO 7 -3.157 9.479 -1.173
241 H LEU 8 H LEU 8 2.316 9.420 0.414
242 HA LEU 8 HA LEU 8 2.607 6.595 0.843
243 1HB LEU 8 2HB LEU 8 4.502 7.834 0.073
244 2HB LEU 8 1HB LEU 8 4.360 8.988 1.386
245 HG LEU 8 HG LEU 8 4.825 6.838 2.866
246 1HD1 LEU 8 1HD1 LEU 8 5.210 5.028 1.632
247 2HD1 LEU 8 2HD1 LEU 8 6.741 5.787 1.198
248 3HD1 LEU 8 3HD1 LEU 8 5.340 5.972 0.147
249 1HD2 LEU 8 1HD2 LEU 8 7.190 7.419 2.829
250 2HD2 LEU 8 2HD2 LEU 8 6.188 8.869 2.799
251 3HD2 LEU 8 3HD2 LEU 8 6.963 8.301 1.319
252 HA PRO 9 HA PRO 9 1.343 6.569 5.115
253 1HB PRO 9 2HB PRO 9 2.819 4.120 5.562
254 2HB PRO 9 1HB PRO 9 1.078 4.338 5.376
255 1HG PRO 9 2HG PRO 9 2.638 3.051 3.545
256 2HG PRO 9 1HG PRO 9 1.137 3.896 3.130
257 1HD PRO 9 2HD PRO 9 3.971 4.820 2.848
258 2HD PRO 9 1HD PRO 9 2.610 4.999 1.720
259 HA PRO 10 HA PRO 10 4.880 7.998 7.396
260 1HB PRO 10 2HB PRO 10 3.793 8.270 9.827
261 2HB PRO 10 1HB PRO 10 3.299 9.304 8.483
262 1HG PRO 10 2HG PRO 10 1.933 6.900 9.625
263 2HG PRO 10 1HG PRO 10 1.230 8.440 9.097
264 1HD PRO 10 2HD PRO 10 1.251 6.139 7.580
265 2HD PRO 10 1HD PRO 10 1.136 7.779 6.910
Start of MODEL 7
1 H SER 15 H SER 15 -10.238 -8.243 -1.491
2 HA SER 15 HA SER 15 -7.503 -7.495 -2.017
3 1HB SER 15 2HB SER 15 -8.002 -8.218 -4.337
4 2HB SER 15 1HB SER 15 -8.440 -9.444 -3.147
5 HG SER 15 HG SER 15 -10.047 -7.931 -4.820
6 H MET 16 H MET 16 -8.252 -5.247 -1.174
7 HA MET 16 HA MET 16 -8.854 -3.596 -3.536
8 1HB MET 16 2HB MET 16 -9.641 -2.802 -0.739
9 2HB MET 16 1HB MET 16 -10.219 -2.148 -2.266
10 1HG MET 16 2HG MET 16 -10.834 -4.872 -1.147
11 2HG MET 16 1HG MET 16 -11.927 -3.492 -1.211
12 1HE MET 16 1HE MET 16 -11.344 -2.250 -4.042
13 2HE MET 16 2HE MET 16 -12.983 -2.530 -3.457
14 3HE MET 16 3HE MET 16 -12.512 -3.089 -5.063
15 H TRP 17 H TRP 17 -6.410 -3.805 -3.540
16 HA TRP 17 HA TRP 17 -5.265 -1.612 -1.944
17 1HB TRP 17 2HB TRP 17 -3.862 -4.217 -2.562
18 2HB TRP 17 1HB TRP 17 -3.220 -2.878 -1.621
19 HD1 TRP 17 HD TRP 17 -5.868 -5.678 -1.389
20 HE1 TRP 17 1HE TRP 17 -6.311 -6.140 1.104
21 HE3 TRP 17 3HE TRP 17 -3.100 -1.891 0.646
22 HZ2 TRP 17 2HZ TRP 17 -5.583 -5.045 3.600
23 HZ3 TRP 17 3HZ TRP 17 -3.033 -1.670 3.090
24 HH2 TRP 17 HH TRP 17 -4.244 -3.213 4.539
25 H THR 18 H THR 18 -3.324 -0.677 -2.841
26 HA THR 18 HA THR 18 -2.982 -1.115 -5.736
27 HB THR 18 HB THR 18 -2.641 1.244 -6.107
28 HG1 THR 18 1HG THR 18 -2.147 2.516 -4.500
29 1HG2 THR 18 1HG2 THR 18 -4.956 0.481 -6.198
30 2HG2 THR 18 2HG2 THR 18 -4.872 2.132 -5.583
31 3HG2 THR 18 3HG2 THR 18 -5.138 0.790 -4.470
32 H GLU 19 H GLU 19 -0.844 -0.897 -6.516
33 HA GLU 19 HA GLU 19 1.178 -1.114 -4.394
34 1HB GLU 19 2HB GLU 19 1.048 -3.067 -5.803
35 2HB GLU 19 1HB GLU 19 1.186 -2.084 -7.254
36 1HG GLU 19 2HG GLU 19 3.460 -1.452 -6.604
37 2HG GLU 19 1HG GLU 19 3.320 -2.458 -5.163
38 H HIS 20 H HIS 20 2.688 0.352 -4.136
39 HA HIS 20 HA HIS 20 3.608 1.977 -6.366
40 1HB HIS 20 2HB HIS 20 2.288 3.107 -3.904
41 2HB HIS 20 1HB HIS 20 3.420 4.051 -4.868
42 HD1 HIS 20 1HD HIS 20 2.674 4.572 -7.358
43 HD2 HIS 20 2HD HIS 20 -0.267 2.946 -4.913
44 HE1 HIS 20 1HE HIS 20 0.501 4.990 -8.551
45 HE2 HIS 20 2HE HIS 20 -1.257 3.937 -7.085
46 H LYS 21 H LYS 21 5.562 3.314 -5.683
47 HA LYS 21 HA LYS 21 7.061 1.794 -3.650
48 1HB LYS 21 2HB LYS 21 8.118 3.105 -6.156
49 2HB LYS 21 1HB LYS 21 9.097 2.286 -4.949
50 1HG LYS 21 2HG LYS 21 8.875 0.646 -6.528
51 2HG LYS 21 1HG LYS 21 7.525 0.266 -5.458
52 1HD LYS 21 2HD LYS 21 6.535 0.163 -7.545
53 2HD LYS 21 1HD LYS 21 6.171 1.816 -7.049
54 1HE LYS 21 2HE LYS 21 8.453 0.974 -8.835
55 2HE LYS 21 1HE LYS 21 6.940 1.698 -9.379
56 1HZ LYS 21 1HZ LYS 21 8.958 2.985 -7.620
57 2HZ LYS 21 2HZ LYS 21 7.487 3.680 -8.084
58 3HZ LYS 21 3HZ LYS 21 8.672 3.353 -9.246
59 H SER 22 H SER 22 7.462 2.909 -1.888
60 HA SER 22 HA SER 22 7.175 5.613 -1.463
61 1HB SER 22 2HB SER 22 7.357 4.023 0.376
62 2HB SER 22 1HB SER 22 9.027 3.672 -0.063
63 HG SER 22 HG SER 22 9.474 5.232 1.268
64 HA PRO 23 HA PRO 23 10.539 7.624 -3.482
65 1HB PRO 23 2HB PRO 23 10.652 9.457 -1.159
66 2HB PRO 23 1HB PRO 23 10.349 9.814 -2.862
67 1HG PRO 23 2HG PRO 23 8.370 9.918 -1.081
68 2HG PRO 23 1HG PRO 23 8.095 9.273 -2.713
69 1HD PRO 23 2HD PRO 23 8.519 7.794 -0.137
70 2HD PRO 23 1HD PRO 23 7.335 7.483 -1.423
71 H ASP 24 H ASP 24 10.826 6.409 -0.268
72 HA ASP 24 HA ASP 24 13.678 6.892 -0.099
73 1HB ASP 24 2HB ASP 24 11.848 5.267 1.686
74 2HB ASP 24 1HB ASP 24 13.528 5.663 2.036
75 H GLY 25 H GLY 25 12.143 5.084 -2.108
76 1HA GLY 25 2HA GLY 25 12.837 3.296 -3.390
77 2HA GLY 25 1HA GLY 25 14.218 3.113 -2.318
78 H ARG 26 H ARG 26 10.823 3.115 -1.335
79 HA ARG 26 HA ARG 26 11.156 0.282 -0.563
80 1HB ARG 26 2HB ARG 26 9.215 2.071 0.846
81 2HB ARG 26 1HB ARG 26 10.030 0.630 1.434
82 1HG ARG 26 2HG ARG 26 11.299 3.318 0.986
83 2HG ARG 26 1HG ARG 26 10.836 2.636 2.544
84 1HD ARG 26 2HD ARG 26 12.410 0.787 2.196
85 2HD ARG 26 1HD ARG 26 12.886 1.491 0.651
86 HE ARG 26 HE ARG 26 13.209 3.347 2.781
87 1HH1 ARG 26 1HH1 ARG 26 14.657 0.556 1.281
88 2HH1 ARG 26 2HH1 ARG 26 16.260 0.947 1.803
89 1HH2 ARG 26 1HH2 ARG 26 15.318 3.870 3.473
90 2HH2 ARG 26 2HH2 ARG 26 16.638 2.829 3.050
91 H THR 27 H THR 27 9.040 -0.896 -0.343
92 HA THR 27 HA THR 27 7.241 -0.087 -2.532
93 HB THR 27 HB THR 27 7.635 -2.859 -1.379
94 HG1 THR 27 1HG THR 27 9.101 -3.157 -2.902
95 1HG2 THR 27 1HG2 THR 27 5.405 -2.497 -2.325
96 2HG2 THR 27 2HG2 THR 27 6.348 -3.601 -3.326
97 3HG2 THR 27 3HG2 THR 27 6.131 -1.923 -3.826
98 H TYR 28 H TYR 28 5.582 1.009 -1.642
99 HA TYR 28 HA TYR 28 4.354 -0.108 0.789
100 1HB TYR 28 2HB TYR 28 3.725 2.033 1.461
101 2HB TYR 28 1HB TYR 28 5.321 2.290 0.760
102 HD1 TYR 28 1HD TYR 28 5.517 3.350 -1.487
103 HD2 TYR 28 2HD TYR 28 1.785 3.044 0.533
104 HE1 TYR 28 1HE TYR 28 4.587 5.092 -2.953
105 HE2 TYR 28 2HE TYR 28 0.842 4.782 -0.928
106 HH TYR 28 HH TYR 28 1.599 6.626 -2.329
107 H TYR 29 H TYR 29 1.954 0.266 0.964
108 HA TYR 29 HA TYR 29 0.655 0.080 -1.672
109 1HB TYR 29 2HB TYR 29 0.078 -1.735 0.680
110 2HB TYR 29 1HB TYR 29 -0.744 -1.763 -0.876
111 HD1 TYR 29 1HD TYR 29 2.494 -2.386 0.801
112 HD2 TYR 29 2HD TYR 29 0.175 -2.935 -2.722
113 HE1 TYR 29 1HE TYR 29 4.161 -3.986 -0.039
114 HE2 TYR 29 2HE TYR 29 1.835 -4.538 -3.572
115 HH TYR 29 HH TYR 29 4.326 -5.819 -1.613
116 H TYR 30 H TYR 30 -1.486 0.777 -1.779
117 HA TYR 30 HA TYR 30 -2.372 2.351 0.551
118 1HB TYR 30 2HB TYR 30 -1.848 3.766 -1.373
119 2HB TYR 30 1HB TYR 30 -2.919 2.814 -2.389
120 HD1 TYR 30 1HD TYR 30 -2.691 5.544 -0.028
121 HD2 TYR 30 2HD TYR 30 -5.387 2.887 -1.972
122 HE1 TYR 30 1HE TYR 30 -4.563 7.022 0.559
123 HE2 TYR 30 2HE TYR 30 -7.267 4.365 -1.397
124 HH TYR 30 HH TYR 30 -7.801 6.090 0.294
125 H ASN 31 H ASN 31 -4.161 1.710 1.528
126 HA ASN 31 HA ASN 31 -5.771 -0.413 0.391
127 1HB ASN 31 2HB ASN 31 -5.020 -0.129 2.872
128 2HB ASN 31 1HB ASN 31 -6.366 0.998 2.980
129 1HD2 ASN 31 1HD2 ASN 31 -7.878 -0.638 0.975
130 2HD2 ASN 31 2HD2 ASN 31 -8.478 -1.985 1.878
131 H THR 32 H THR 32 -7.306 0.133 -1.043
132 HA THR 32 HA THR 32 -8.518 2.758 -0.983
133 HB THR 32 HB THR 32 -8.023 1.878 -3.157
134 HG1 THR 32 1HG THR 32 -9.863 2.586 -3.950
135 1HG2 THR 32 1HG2 THR 32 -9.191 -0.149 -4.013
136 2HG2 THR 32 2HG2 THR 32 -9.764 -0.458 -2.372
137 3HG2 THR 32 3HG2 THR 32 -8.037 -0.489 -2.723
138 H GLU 33 H GLU 33 -9.166 -0.232 0.437
139 HA GLU 33 HA GLU 33 -12.039 -0.002 0.471
140 1HB GLU 33 2HB GLU 33 -10.949 -2.205 0.556
141 2HB GLU 33 1HB GLU 33 -10.197 -1.777 2.086
142 1HG GLU 33 2HG GLU 33 -12.117 -3.210 2.435
143 2HG GLU 33 1HG GLU 33 -12.396 -1.614 3.129
144 H THR 34 H THR 34 -9.599 0.000 3.079
145 HA THR 34 HA THR 34 -11.390 1.297 4.910
146 HB THR 34 HB THR 34 -8.405 0.936 5.225
147 HG1 THR 34 1HG THR 34 -9.218 -1.105 4.903
148 1HG2 THR 34 1HG2 THR 34 -8.951 0.930 7.631
149 2HG2 THR 34 2HG2 THR 34 -10.640 1.252 7.234
150 3HG2 THR 34 3HG2 THR 34 -9.400 2.447 6.852
151 H LYS 35 H LYS 35 -9.307 2.313 2.455
152 HA LYS 35 HA LYS 35 -8.708 4.343 1.655
153 1HB LYS 35 2HB LYS 35 -10.521 5.499 3.768
154 2HB LYS 35 1HB LYS 35 -9.946 6.308 2.316
155 1HG LYS 35 2HG LYS 35 -11.168 4.667 0.948
156 2HG LYS 35 1HG LYS 35 -11.790 3.930 2.428
157 1HD LYS 35 2HD LYS 35 -13.503 5.365 1.733
158 2HD LYS 35 1HD LYS 35 -12.661 6.259 2.999
159 1HE LYS 35 2HE LYS 35 -11.428 7.514 1.319
160 2HE LYS 35 1HE LYS 35 -12.216 6.597 0.037
161 1HZ LYS 35 1HZ LYS 35 -13.555 8.420 1.961
162 2HZ LYS 35 2HZ LYS 35 -14.348 7.500 0.785
163 3HZ LYS 35 3HZ LYS 35 -13.280 8.726 0.319
164 H GLN 36 H GLN 36 -6.678 3.544 2.759
165 HA GLN 36 HA GLN 36 -5.536 5.759 4.191
166 1HB GLN 36 2HB GLN 36 -5.204 4.848 6.255
167 2HB GLN 36 1HB GLN 36 -6.686 4.001 5.843
168 1HG GLN 36 2HG GLN 36 -5.323 2.088 5.056
169 2HG GLN 36 1HG GLN 36 -3.881 2.940 5.597
170 1HE2 GLN 36 1HE2 GLN 36 -6.788 1.308 6.600
171 2HE2 GLN 36 2HE2 GLN 36 -6.332 1.088 8.251
172 H SER 37 H SER 37 -3.187 5.402 4.599
173 HA SER 37 HA SER 37 -2.041 3.750 2.451
174 1HB SER 37 2HB SER 37 -0.725 6.017 3.971
175 2HB SER 37 1HB SER 37 -0.130 5.234 2.507
176 HG SER 37 HG SER 37 -1.571 6.297 1.329
177 H THR 38 H THR 38 -0.576 2.147 2.927
178 HA THR 38 HA THR 38 0.313 1.924 5.711
179 HB THR 38 HB THR 38 -1.771 0.553 5.359
180 HG1 THR 38 1HG THR 38 -0.059 -1.437 5.948
181 1HG2 THR 38 1HG2 THR 38 0.094 -1.065 3.613
182 2HG2 THR 38 2HG2 THR 38 -1.349 -0.199 3.082
183 3HG2 THR 38 3HG2 THR 38 -1.499 -1.586 4.162
184 H TRP 39 H TRP 39 1.981 0.349 6.065
185 HA TRP 39 HA TRP 39 3.857 0.177 3.802
186 1HB TRP 39 2HB TRP 39 4.235 0.168 6.800
187 2HB TRP 39 1HB TRP 39 5.526 -0.245 5.680
188 HD1 TRP 39 HD TRP 39 3.802 2.710 7.243
189 HE1 TRP 39 1HE TRP 39 4.890 4.883 6.382
190 HE3 TRP 39 3HE TRP 39 6.606 0.742 3.473
191 HZ2 TRP 39 2HZ TRP 39 6.710 5.649 4.341
192 HZ3 TRP 39 3HZ TRP 39 7.984 2.241 2.117
193 HH2 TRP 39 HH TRP 39 8.042 4.643 2.544
194 H GLU 40 H GLU 40 5.120 -1.770 3.579
195 HA GLU 40 HA GLU 40 5.436 -4.013 3.417
196 1HB GLU 40 2HB GLU 40 5.647 -3.923 5.861
197 2HB GLU 40 1HB GLU 40 3.907 -4.106 6.024
198 1HG GLU 40 2HG GLU 40 4.046 -6.318 4.983
199 2HG GLU 40 1HG GLU 40 5.794 -6.133 4.845
200 H LYS 41 H LYS 41 4.498 -5.650 2.343
201 HA LYS 41 HA LYS 41 1.867 -5.314 1.347
202 1HB LYS 41 2HB LYS 41 3.646 -6.366 0.031
203 2HB LYS 41 1HB LYS 41 3.726 -7.695 1.178
204 1HG LYS 41 2HG LYS 41 1.470 -8.373 0.585
205 2HG LYS 41 1HG LYS 41 1.339 -7.010 -0.528
206 1HD LYS 41 2HD LYS 41 3.137 -7.906 -1.886
207 2HD LYS 41 1HD LYS 41 3.374 -9.228 -0.741
208 1HE LYS 41 2HE LYS 41 0.883 -8.721 -2.364
209 2HE LYS 41 1HE LYS 41 2.101 -9.948 -2.705
210 1HZ LYS 41 1HZ LYS 41 1.589 -10.961 -0.547
211 2HZ LYS 41 2HZ LYS 41 0.238 -10.925 -1.562
212 3HZ LYS 41 3HZ LYS 41 0.371 -9.815 -0.293
213 HA PRO 42 HA PRO 42 -0.420 -7.309 4.600
214 1HB PRO 42 2HB PRO 42 -2.666 -7.961 3.178
215 2HB PRO 42 1HB PRO 42 -2.334 -6.344 3.809
216 1HG PRO 42 2HG PRO 42 -1.931 -7.422 1.048
217 2HG PRO 42 1HG PRO 42 -2.561 -5.843 1.555
218 1HD PRO 42 2HD PRO 42 -0.028 -6.165 0.691
219 2HD PRO 42 1HD PRO 42 -0.451 -4.988 1.951
220 HA PRO 5 HA PRO 5 -1.704 7.903 -7.451
221 1HB PRO 5 2HB PRO 5 0.616 8.822 -6.465
222 2HB PRO 5 1HB PRO 5 0.356 8.648 -8.206
223 1HG PRO 5 2HG PRO 5 0.210 11.105 -6.504
224 2HG PRO 5 1HG PRO 5 0.941 10.895 -8.106
225 1HD PRO 5 2HD PRO 5 -1.539 11.983 -7.693
226 2HD PRO 5 1HD PRO 5 -1.065 11.152 -9.185
227 HA PRO 6 HA PRO 6 -2.914 8.281 -3.193
228 1HB PRO 6 2HB PRO 6 -1.530 5.818 -2.541
229 2HB PRO 6 1HB PRO 6 -3.262 6.106 -2.699
230 1HG PRO 6 2HG PRO 6 -1.844 4.574 -4.432
231 2HG PRO 6 1HG PRO 6 -3.302 5.468 -4.893
232 1HD PRO 6 2HD PRO 6 -0.425 6.188 -5.341
233 2HD PRO 6 1HD PRO 6 -1.814 6.356 -6.440
234 HA PRO 7 HA PRO 7 0.597 9.902 -1.062
235 1HB PRO 7 2HB PRO 7 -0.426 10.206 1.398
236 2HB PRO 7 1HB PRO 7 -0.991 11.175 0.032
237 1HG PRO 7 2HG PRO 7 -2.251 8.793 1.316
238 2HG PRO 7 1HG PRO 7 -3.012 10.269 0.699
239 1HD PRO 7 2HD PRO 7 -2.904 7.857 -0.654
240 2HD PRO 7 1HD PRO 7 -3.144 9.442 -1.423
241 H LEU 8 H LEU 8 2.281 9.335 0.285
242 HA LEU 8 HA LEU 8 2.518 6.537 0.881
243 1HB LEU 8 2HB LEU 8 4.408 7.808 0.018
244 2HB LEU 8 1HB LEU 8 4.336 8.898 1.391
245 HG LEU 8 HG LEU 8 4.789 6.748 2.790
246 1HD1 LEU 8 1HD1 LEU 8 5.769 4.951 1.715
247 2HD1 LEU 8 2HD1 LEU 8 6.120 5.879 0.262
248 3HD1 LEU 8 3HD1 LEU 8 4.465 5.391 0.618
249 1HD2 LEU 8 1HD2 LEU 8 6.909 8.013 1.055
250 2HD2 LEU 8 2HD2 LEU 8 7.202 7.089 2.528
251 3HD2 LEU 8 3HD2 LEU 8 6.333 8.622 2.608
252 HA PRO 9 HA PRO 9 1.277 6.854 5.154
253 1HB PRO 9 2HB PRO 9 2.621 4.417 5.844
254 2HB PRO 9 1HB PRO 9 0.904 4.657 5.528
255 1HG PRO 9 2HG PRO 9 2.619 3.205 3.923
256 2HG PRO 9 1HG PRO 9 1.079 3.899 3.394
257 1HD PRO 9 2HD PRO 9 3.855 4.896 2.970
258 2HD PRO 9 1HD PRO 9 2.447 4.974 1.891
259 HA PRO 10 HA PRO 10 4.922 8.312 7.250
260 1HB PRO 10 2HB PRO 10 3.900 8.858 9.662
261 2HB PRO 10 1HB PRO 10 3.426 9.787 8.234
262 1HG PRO 10 2HG PRO 10 1.967 7.587 9.635
263 2HG PRO 10 1HG PRO 10 1.331 9.088 8.942
264 1HD PRO 10 2HD PRO 10 1.248 6.616 7.703
265 2HD PRO 10 1HD PRO 10 1.138 8.173 6.860
Start of MODEL 8
1 H SER 15 H SER 15 -10.201 -7.978 -0.442
2 HA SER 15 HA SER 15 -7.592 -7.037 -0.924
3 1HB SER 15 2HB SER 15 -8.930 -8.655 -2.348
4 2HB SER 15 1HB SER 15 -9.797 -7.255 -2.978
5 HG SER 15 HG SER 15 -7.473 -8.216 -3.779
6 H MET 16 H MET 16 -8.484 -5.541 -3.416
7 HA MET 16 HA MET 16 -8.791 -3.401 -4.101
8 1HB MET 16 2HB MET 16 -10.061 -2.991 -1.385
9 2HB MET 16 1HB MET 16 -10.150 -1.876 -2.736
10 1HG MET 16 2HG MET 16 -11.346 -3.546 -4.049
11 2HG MET 16 1HG MET 16 -11.258 -4.670 -2.694
12 1HE MET 16 1HE MET 16 -13.863 -5.022 -2.845
13 2HE MET 16 2HE MET 16 -13.995 -3.866 -4.170
14 3HE MET 16 3HE MET 16 -15.047 -3.717 -2.762
15 H TRP 17 H TRP 17 -6.368 -3.781 -3.685
16 HA TRP 17 HA TRP 17 -5.383 -1.579 -1.993
17 1HB TRP 17 2HB TRP 17 -4.062 -4.267 -2.447
18 2HB TRP 17 1HB TRP 17 -3.330 -2.916 -1.591
19 HD1 TRP 17 HD TRP 17 -6.150 -5.516 -1.206
20 HE1 TRP 17 1HE TRP 17 -6.690 -5.741 1.295
21 HE3 TRP 17 3HE TRP 17 -3.217 -1.738 0.620
22 HZ2 TRP 17 2HZ TRP 17 -5.980 -4.497 3.718
23 HZ3 TRP 17 3HZ TRP 17 -3.211 -1.327 3.045
24 HH2 TRP 17 HH TRP 17 -4.562 -2.679 4.561
25 H THR 18 H THR 18 -3.433 -0.560 -2.757
26 HA THR 18 HA THR 18 -2.934 -0.982 -5.635
27 HB THR 18 HB THR 18 -2.421 1.409 -5.840
28 HG1 THR 18 1HG THR 18 -1.818 2.050 -3.827
29 1HG2 THR 18 1HG2 THR 18 -4.713 2.286 -5.561
30 2HG2 THR 18 2HG2 THR 18 -5.130 0.852 -4.623
31 3HG2 THR 18 3HG2 THR 18 -4.694 0.696 -6.326
32 H GLU 19 H GLU 19 -0.814 -0.992 -6.325
33 HA GLU 19 HA GLU 19 1.182 -1.143 -4.174
34 1HB GLU 19 2HB GLU 19 0.776 -3.152 -5.633
35 2HB GLU 19 1HB GLU 19 1.417 -2.226 -6.982
36 1HG GLU 19 2HG GLU 19 2.990 -2.687 -4.469
37 2HG GLU 19 1HG GLU 19 2.993 -3.832 -5.808
38 H HIS 20 H HIS 20 2.686 0.348 -4.001
39 HA HIS 20 HA HIS 20 3.631 1.782 -6.359
40 1HB HIS 20 2HB HIS 20 2.345 3.059 -3.958
41 2HB HIS 20 1HB HIS 20 3.534 3.932 -4.919
42 HD1 HIS 20 1HD HIS 20 2.836 4.666 -7.294
43 HD2 HIS 20 2HD HIS 20 -0.155 2.707 -5.173
44 HE1 HIS 20 1HE HIS 20 0.715 5.087 -8.577
45 HE2 HIS 20 2HE HIS 20 -1.087 3.923 -7.256
46 H LYS 21 H LYS 21 5.576 3.193 -5.741
47 HA LYS 21 HA LYS 21 7.155 1.738 -3.722
48 1HB LYS 21 2HB LYS 21 7.987 1.231 -5.912
49 2HB LYS 21 1HB LYS 21 8.003 2.930 -6.359
50 1HG LYS 21 2HG LYS 21 9.777 3.344 -4.728
51 2HG LYS 21 1HG LYS 21 9.760 1.635 -4.284
52 1HD LYS 21 2HD LYS 21 10.523 0.982 -6.440
53 2HD LYS 21 1HD LYS 21 10.266 2.603 -7.092
54 1HE LYS 21 2HE LYS 21 12.276 1.859 -4.968
55 2HE LYS 21 1HE LYS 21 12.639 2.142 -6.670
56 1HZ LYS 21 1HZ LYS 21 13.118 4.097 -5.361
57 2HZ LYS 21 2HZ LYS 21 11.534 4.139 -4.770
58 3HZ LYS 21 3HZ LYS 21 11.830 4.417 -6.412
59 H SER 22 H SER 22 7.377 2.955 -1.962
60 HA SER 22 HA SER 22 7.118 5.662 -1.677
61 1HB SER 22 2HB SER 22 7.262 4.162 0.238
62 2HB SER 22 1HB SER 22 8.946 3.815 -0.115
63 HG SER 22 HG SER 22 8.630 6.457 0.041
64 HA PRO 23 HA PRO 23 10.390 7.675 -3.886
65 1HB PRO 23 2HB PRO 23 10.496 9.345 -1.408
66 2HB PRO 23 1HB PRO 23 10.447 9.849 -3.101
67 1HG PRO 23 2HG PRO 23 8.260 9.975 -1.596
68 2HG PRO 23 1HG PRO 23 8.168 9.460 -3.291
69 1HD PRO 23 2HD PRO 23 7.961 7.841 -0.804
70 2HD PRO 23 1HD PRO 23 7.185 7.595 -2.380
71 H ASP 24 H ASP 24 10.938 7.291 -0.375
72 HA ASP 24 HA ASP 24 13.682 7.462 -0.314
73 1HB ASP 24 2HB ASP 24 11.936 5.596 1.307
74 2HB ASP 24 1HB ASP 24 13.593 6.041 1.707
75 H GLY 25 H GLY 25 11.675 4.843 -1.424
76 1HA GLY 25 2HA GLY 25 12.725 3.470 -3.207
77 2HA GLY 25 1HA GLY 25 14.117 3.336 -2.141
78 H ARG 26 H ARG 26 10.671 3.088 -1.350
79 HA ARG 26 HA ARG 26 11.145 0.278 -0.576
80 1HB ARG 26 2HB ARG 26 9.186 1.989 0.903
81 2HB ARG 26 1HB ARG 26 10.023 0.542 1.444
82 1HG ARG 26 2HG ARG 26 11.318 3.223 1.013
83 2HG ARG 26 1HG ARG 26 10.786 2.591 2.571
84 1HD ARG 26 2HD ARG 26 12.341 0.743 2.392
85 2HD ARG 26 1HD ARG 26 12.824 1.272 0.782
86 HE ARG 26 HE ARG 26 13.261 3.380 2.563
87 1HH1 ARG 26 1HH1 ARG 26 14.467 0.178 1.910
88 2HH1 ARG 26 2HH1 ARG 26 16.060 0.516 2.498
89 1HH2 ARG 26 1HH2 ARG 26 15.358 3.838 3.338
90 2HH2 ARG 26 2HH2 ARG 26 16.568 2.599 3.308
91 H THR 27 H THR 27 9.092 -0.978 -0.360
92 HA THR 27 HA THR 27 7.230 -0.214 -2.507
93 HB THR 27 HB THR 27 7.729 -2.944 -1.292
94 HG1 THR 27 1HG THR 27 9.261 -3.076 -2.735
95 1HG2 THR 27 1HG2 THR 27 6.043 -2.119 -3.658
96 2HG2 THR 27 2HG2 THR 27 5.442 -2.713 -2.111
97 3HG2 THR 27 3HG2 THR 27 6.371 -3.780 -3.163
98 H TYR 28 H TYR 28 5.565 0.880 -1.618
99 HA TYR 28 HA TYR 28 4.378 -0.209 0.847
100 1HB TYR 28 2HB TYR 28 3.763 1.941 1.514
101 2HB TYR 28 1HB TYR 28 5.355 2.182 0.799
102 HD1 TYR 28 1HD TYR 28 5.531 3.184 -1.486
103 HD2 TYR 28 2HD TYR 28 1.835 2.991 0.612
104 HE1 TYR 28 1HE TYR 28 4.603 4.911 -2.971
105 HE2 TYR 28 2HE TYR 28 0.896 4.715 -0.868
106 HH TYR 28 HH TYR 28 1.644 6.504 -2.323
107 H TYR 29 H TYR 29 1.996 0.187 1.064
108 HA TYR 29 HA TYR 29 0.634 -0.004 -1.537
109 1HB TYR 29 2HB TYR 29 0.176 -1.778 0.869
110 2HB TYR 29 1HB TYR 29 -0.852 -1.750 -0.560
111 HD1 TYR 29 1HD TYR 29 -0.326 -3.064 -2.432
112 HD2 TYR 29 2HD TYR 29 2.625 -2.429 0.568
113 HE1 TYR 29 1HE TYR 29 1.122 -4.736 -3.507
114 HE2 TYR 29 2HE TYR 29 4.079 -4.097 -0.500
115 HH TYR 29 HH TYR 29 3.508 -5.310 -3.617
116 H TYR 30 H TYR 30 -1.502 0.733 -1.598
117 HA TYR 30 HA TYR 30 -2.354 2.298 0.750
118 1HB TYR 30 2HB TYR 30 -1.621 3.873 -0.882
119 2HB TYR 30 1HB TYR 30 -2.444 3.022 -2.178
120 HD1 TYR 30 1HD TYR 30 -4.935 3.110 -2.312
121 HD2 TYR 30 2HD TYR 30 -2.739 5.519 0.415
122 HE1 TYR 30 1HE TYR 30 -6.891 4.579 -2.046
123 HE2 TYR 30 2HE TYR 30 -4.684 6.993 0.694
124 HH TYR 30 HH TYR 30 -6.717 7.615 -0.557
125 H ASN 31 H ASN 31 -4.255 1.698 1.546
126 HA ASN 31 HA ASN 31 -5.897 -0.203 0.135
127 1HB ASN 31 2HB ASN 31 -5.521 -0.333 2.593
128 2HB ASN 31 1HB ASN 31 -6.418 1.169 2.780
129 1HD2 ASN 31 1HD2 ASN 31 -7.218 -1.337 0.472
130 2HD2 ASN 31 2HD2 ASN 31 -8.701 -1.815 1.218
131 H THR 32 H THR 32 -7.579 0.244 -1.126
132 HA THR 32 HA THR 32 -8.556 3.000 -1.217
133 HB THR 32 HB THR 32 -7.959 2.094 -3.370
134 HG1 THR 32 1HG THR 32 -9.813 3.417 -3.364
135 1HG2 THR 32 1HG2 THR 32 -8.121 -0.259 -3.005
136 2HG2 THR 32 2HG2 THR 32 -9.244 0.149 -4.301
137 3HG2 THR 32 3HG2 THR 32 -9.849 -0.147 -2.672
138 H GLU 33 H GLU 33 -9.297 0.259 0.407
139 HA GLU 33 HA GLU 33 -12.147 0.214 0.137
140 1HB GLU 33 2HB GLU 33 -10.610 -1.694 0.917
141 2HB GLU 33 1HB GLU 33 -10.595 -0.884 2.476
142 1HG GLU 33 2HG GLU 33 -13.094 -1.792 1.070
143 2HG GLU 33 1HG GLU 33 -12.241 -2.734 2.290
144 H THR 34 H THR 34 -10.111 1.003 2.962
145 HA THR 34 HA THR 34 -12.232 2.755 3.949
146 HB THR 34 HB THR 34 -11.266 1.144 5.531
147 HG1 THR 34 1HG THR 34 -12.029 3.251 6.237
148 1HG2 THR 34 1HG2 THR 34 -8.987 1.058 4.638
149 2HG2 THR 34 2HG2 THR 34 -8.982 1.437 6.360
150 3HG2 THR 34 3HG2 THR 34 -8.714 2.715 5.176
151 H LYS 35 H LYS 35 -9.462 2.921 2.128
152 HA LYS 35 HA LYS 35 -8.346 4.667 1.191
153 1HB LYS 35 2HB LYS 35 -9.976 6.585 2.843
154 2HB LYS 35 1HB LYS 35 -9.217 6.858 1.279
155 1HG LYS 35 2HG LYS 35 -11.516 4.968 1.742
156 2HG LYS 35 1HG LYS 35 -11.687 6.637 1.186
157 1HD LYS 35 2HD LYS 35 -10.080 4.518 -0.241
158 2HD LYS 35 1HD LYS 35 -11.740 4.953 -0.649
159 1HE LYS 35 2HE LYS 35 -9.327 6.761 -0.746
160 2HE LYS 35 1HE LYS 35 -10.194 6.090 -2.127
161 1HZ LYS 35 1HZ LYS 35 -11.292 8.003 -0.138
162 2HZ LYS 35 2HZ LYS 35 -12.160 7.335 -1.426
163 3HZ LYS 35 3HZ LYS 35 -10.854 8.365 -1.732
164 H GLN 36 H GLN 36 -6.569 3.810 2.458
165 HA GLN 36 HA GLN 36 -5.423 5.875 4.121
166 1HB GLN 36 2HB GLN 36 -5.375 4.819 6.138
167 2HB GLN 36 1HB GLN 36 -6.853 4.107 5.515
168 1HG GLN 36 2HG GLN 36 -5.886 2.182 6.131
169 2HG GLN 36 1HG GLN 36 -5.047 2.339 4.594
170 1HE2 GLN 36 1HE2 GLN 36 -4.381 4.452 7.232
171 2HE2 GLN 36 2HE2 GLN 36 -2.815 3.836 7.615
172 H SER 37 H SER 37 -3.139 5.407 4.665
173 HA SER 37 HA SER 37 -1.911 3.824 2.515
174 1HB SER 37 2HB SER 37 -0.590 5.957 4.202
175 2HB SER 37 1HB SER 37 0.005 5.256 2.697
176 HG SER 37 HG SER 37 -1.521 6.346 1.573
177 H THR 38 H THR 38 -0.605 2.134 2.959
178 HA THR 38 HA THR 38 0.206 1.697 5.750
179 HB THR 38 HB THR 38 -1.826 0.330 5.142
180 HG1 THR 38 1HG THR 38 -1.003 -0.898 6.649
181 1HG2 THR 38 1HG2 THR 38 -1.241 -0.169 2.823
182 2HG2 THR 38 2HG2 THR 38 -1.458 -1.657 3.744
183 3HG2 THR 38 3HG2 THR 38 0.165 -1.085 3.362
184 H TRP 39 H TRP 39 1.962 0.179 6.023
185 HA TRP 39 HA TRP 39 3.846 0.245 3.761
186 1HB TRP 39 2HB TRP 39 4.200 0.140 6.747
187 2HB TRP 39 1HB TRP 39 5.503 -0.337 5.667
188 HD1 TRP 39 HD TRP 39 4.005 2.656 7.289
189 HE1 TRP 39 1HE TRP 39 5.159 4.795 6.428
190 HE3 TRP 39 3HE TRP 39 6.531 0.654 3.332
191 HZ2 TRP 39 2HZ TRP 39 6.914 5.524 4.328
192 HZ3 TRP 39 3HZ TRP 39 7.920 2.132 1.948
193 HH2 TRP 39 HH TRP 39 8.115 4.511 2.433
194 H GLU 40 H GLU 40 4.885 -1.589 3.070
195 HA GLU 40 HA GLU 40 5.238 -3.790 2.639
196 1HB GLU 40 2HB GLU 40 5.978 -3.860 4.992
197 2HB GLU 40 1HB GLU 40 4.328 -4.202 5.494
198 1HG GLU 40 2HG GLU 40 4.396 -6.288 4.181
199 2HG GLU 40 1HG GLU 40 6.082 -5.953 3.787
200 H LYS 41 H LYS 41 4.147 -5.462 1.737
201 HA LYS 41 HA LYS 41 1.452 -5.188 1.130
202 1HB LYS 41 2HB LYS 41 1.586 -7.483 0.242
203 2HB LYS 41 1HB LYS 41 2.960 -6.504 -0.249
204 1HG LYS 41 2HG LYS 41 4.328 -7.555 1.488
205 2HG LYS 41 1HG LYS 41 2.947 -8.545 1.965
206 1HD LYS 41 2HD LYS 41 4.173 -8.551 -0.792
207 2HD LYS 41 1HD LYS 41 4.573 -9.713 0.475
208 1HE LYS 41 2HE LYS 41 2.229 -10.427 0.549
209 2HE LYS 41 1HE LYS 41 1.837 -9.268 -0.721
210 1HZ LYS 41 1HZ LYS 41 3.695 -11.570 -0.989
211 2HZ LYS 41 2HZ LYS 41 3.336 -10.454 -2.207
212 3HZ LYS 41 3HZ LYS 41 2.129 -11.484 -1.622
213 HA PRO 42 HA PRO 42 -0.505 -6.767 4.796
214 1HB PRO 42 2HB PRO 42 -3.017 -7.046 3.860
215 2HB PRO 42 1HB PRO 42 -2.296 -5.460 4.163
216 1HG PRO 42 2HG PRO 42 -2.610 -6.937 1.578
217 2HG PRO 42 1HG PRO 42 -2.887 -5.220 1.925
218 1HD PRO 42 2HD PRO 42 -0.617 -6.156 0.746
219 2HD PRO 42 1HD PRO 42 -0.657 -4.698 1.755
220 HA PRO 5 HA PRO 5 -1.470 7.815 -7.373
221 1HB PRO 5 2HB PRO 5 0.691 9.022 -6.326
222 2HB PRO 5 1HB PRO 5 0.505 8.787 -8.069
223 1HG PRO 5 2HG PRO 5 0.050 11.241 -6.427
224 2HG PRO 5 1HG PRO 5 0.801 11.082 -8.023
225 1HD PRO 5 2HD PRO 5 -1.799 11.880 -7.607
226 2HD PRO 5 1HD PRO 5 -1.212 11.130 -9.104
227 HA PRO 6 HA PRO 6 -2.816 8.056 -3.140
228 1HB PRO 6 2HB PRO 6 -1.266 5.676 -2.532
229 2HB PRO 6 1HB PRO 6 -3.015 5.852 -2.692
230 1HG PRO 6 2HG PRO 6 -1.507 4.455 -4.462
231 2HG PRO 6 1HG PRO 6 -3.003 5.295 -4.915
232 1HD PRO 6 2HD PRO 6 -0.157 6.182 -5.272
233 2HD PRO 6 1HD PRO 6 -1.520 6.282 -6.411
234 HA PRO 7 HA PRO 7 0.600 9.817 -0.931
235 1HB PRO 7 2HB PRO 7 -0.480 10.056 1.516
236 2HB PRO 7 1HB PRO 7 -1.034 11.036 0.153
237 1HG PRO 7 2HG PRO 7 -2.276 8.614 1.378
238 2HG PRO 7 1HG PRO 7 -3.051 10.080 0.751
239 1HD PRO 7 2HD PRO 7 -2.856 7.678 -0.612
240 2HD PRO 7 1HD PRO 7 -3.117 9.261 -1.377
241 H LEU 8 H LEU 8 2.282 9.261 0.443
242 HA LEU 8 HA LEU 8 2.560 6.454 0.991
243 1HB LEU 8 2HB LEU 8 4.416 7.839 0.168
244 2HB LEU 8 1HB LEU 8 4.349 8.809 1.630
245 HG LEU 8 HG LEU 8 4.874 6.614 2.871
246 1HD1 LEU 8 1HD1 LEU 8 4.362 5.261 0.800
247 2HD1 LEU 8 2HD1 LEU 8 5.861 4.868 1.635
248 3HD1 LEU 8 3HD1 LEU 8 5.903 5.831 0.161
249 1HD2 LEU 8 1HD2 LEU 8 7.265 6.915 2.506
250 2HD2 LEU 8 2HD2 LEU 8 6.450 8.476 2.613
251 3HD2 LEU 8 3HD2 LEU 8 6.937 7.842 1.041
252 HA PRO 9 HA PRO 9 1.249 6.658 5.247
253 1HB PRO 9 2HB PRO 9 2.657 4.240 5.901
254 2HB PRO 9 1HB PRO 9 0.935 4.446 5.585
255 1HG PRO 9 2HG PRO 9 2.674 3.064 3.953
256 2HG PRO 9 1HG PRO 9 1.132 3.757 3.428
257 1HD PRO 9 2HD PRO 9 3.903 4.799 3.067
258 2HD PRO 9 1HD PRO 9 2.512 4.877 1.966
259 HA PRO 10 HA PRO 10 4.804 8.175 7.441
260 1HB PRO 10 2HB PRO 10 3.724 8.618 9.853
261 2HB PRO 10 1HB PRO 10 3.247 9.573 8.442
262 1HG PRO 10 2HG PRO 10 1.832 7.287 9.751
263 2HG PRO 10 1HG PRO 10 1.163 8.790 9.092
264 1HD PRO 10 2HD PRO 10 1.171 6.358 7.775
265 2HD PRO 10 1HD PRO 10 1.042 7.939 6.977
Start of MODEL 9
1 H SER 15 H SER 15 -8.446 -6.918 1.467
2 HA SER 15 HA SER 15 -7.347 -7.431 -1.181
3 1HB SER 15 2HB SER 15 -9.346 -8.901 -0.993
4 2HB SER 15 1HB SER 15 -10.334 -7.472 -0.694
5 HG SER 15 HG SER 15 -10.482 -7.801 -2.844
6 H MET 16 H MET 16 -8.364 -5.818 -2.801
7 HA MET 16 HA MET 16 -8.706 -3.680 -3.477
8 1HB MET 16 2HB MET 16 -9.922 -3.538 -0.735
9 2HB MET 16 1HB MET 16 -9.803 -2.108 -1.746
10 1HG MET 16 2HG MET 16 -11.972 -3.027 -2.030
11 2HG MET 16 1HG MET 16 -11.060 -3.327 -3.508
12 1HE MET 16 1HE MET 16 -12.951 -5.126 -4.204
13 2HE MET 16 2HE MET 16 -13.793 -4.781 -2.693
14 3HE MET 16 3HE MET 16 -13.448 -6.450 -3.147
15 H TRP 17 H TRP 17 -6.288 -3.735 -3.460
16 HA TRP 17 HA TRP 17 -5.298 -1.515 -1.811
17 1HB TRP 17 2HB TRP 17 -3.623 -3.967 -2.336
18 2HB TRP 17 1HB TRP 17 -3.262 -2.624 -1.262
19 HD1 TRP 17 HD TRP 17 -5.535 -5.712 -1.503
20 HE1 TRP 17 1HE TRP 17 -6.218 -6.398 0.880
21 HE3 TRP 17 3HE TRP 17 -3.506 -1.795 1.076
22 HZ2 TRP 17 2HZ TRP 17 -5.934 -5.414 3.505
23 HZ3 TRP 17 3HZ TRP 17 -3.756 -1.745 3.525
24 HH2 TRP 17 HH TRP 17 -4.946 -3.519 4.711
25 H THR 18 H THR 18 -3.398 -0.476 -2.672
26 HA THR 18 HA THR 18 -3.027 -0.920 -5.565
27 HB THR 18 HB THR 18 -2.617 1.434 -5.873
28 HG1 THR 18 1HG THR 18 -2.718 1.485 -3.049
29 1HG2 THR 18 1HG2 THR 18 -4.800 2.380 -5.293
30 2HG2 THR 18 2HG2 THR 18 -5.086 1.045 -4.177
31 3HG2 THR 18 3HG2 THR 18 -4.966 0.735 -5.909
32 H GLU 19 H GLU 19 -0.915 -0.934 -6.342
33 HA GLU 19 HA GLU 19 1.134 -1.115 -4.246
34 1HB GLU 19 2HB GLU 19 0.782 -3.124 -5.627
35 2HB GLU 19 1HB GLU 19 1.186 -2.197 -7.064
36 1HG GLU 19 2HG GLU 19 3.436 -1.853 -6.256
37 2HG GLU 19 1HG GLU 19 3.045 -2.677 -4.747
38 H HIS 20 H HIS 20 2.702 0.305 -4.100
39 HA HIS 20 HA HIS 20 3.630 1.769 -6.433
40 1HB HIS 20 2HB HIS 20 2.477 3.110 -3.983
41 2HB HIS 20 1HB HIS 20 3.509 3.942 -5.144
42 HD1 HIS 20 1HD HIS 20 2.515 4.225 -7.589
43 HD2 HIS 20 2HD HIS 20 -0.162 2.867 -4.716
44 HE1 HIS 20 1HE HIS 20 0.233 4.534 -8.597
45 HE2 HIS 20 2HE HIS 20 -1.375 3.739 -6.828
46 H LYS 21 H LYS 21 5.573 3.197 -5.761
47 HA LYS 21 HA LYS 21 7.127 1.703 -3.751
48 1HB LYS 21 2HB LYS 21 7.787 1.282 -6.123
49 2HB LYS 21 1HB LYS 21 8.202 2.984 -6.265
50 1HG LYS 21 2HG LYS 21 9.882 2.713 -4.503
51 2HG LYS 21 1HG LYS 21 9.477 0.999 -4.391
52 1HD LYS 21 2HD LYS 21 10.524 2.388 -6.859
53 2HD LYS 21 1HD LYS 21 11.491 1.408 -5.756
54 1HE LYS 21 2HE LYS 21 9.175 0.481 -7.449
55 2HE LYS 21 1HE LYS 21 10.876 0.087 -7.680
56 1HZ LYS 21 1HZ LYS 21 9.219 -0.696 -5.342
57 2HZ LYS 21 2HZ LYS 21 10.854 -1.069 -5.554
58 3HZ LYS 21 3HZ LYS 21 9.698 -1.719 -6.603
59 H SER 22 H SER 22 7.299 2.965 -2.006
60 HA SER 22 HA SER 22 7.176 5.679 -1.760
61 1HB SER 22 2HB SER 22 7.236 4.181 0.168
62 2HB SER 22 1HB SER 22 8.913 3.774 -0.161
63 HG SER 22 HG SER 22 9.534 5.614 0.678
64 HA PRO 23 HA PRO 23 10.611 7.382 -4.016
65 1HB PRO 23 2HB PRO 23 10.551 9.392 -1.813
66 2HB PRO 23 1HB PRO 23 10.555 9.639 -3.563
67 1HG PRO 23 2HG PRO 23 8.317 9.943 -2.160
68 2HG PRO 23 1HG PRO 23 8.288 9.187 -3.764
69 1HD PRO 23 2HD PRO 23 8.070 7.930 -1.068
70 2HD PRO 23 1HD PRO 23 7.277 7.482 -2.591
71 H ASP 24 H ASP 24 10.764 7.102 -0.485
72 HA ASP 24 HA ASP 24 13.487 7.481 -0.111
73 1HB ASP 24 2HB ASP 24 11.675 5.551 1.360
74 2HB ASP 24 1HB ASP 24 13.237 6.125 1.934
75 H GLY 25 H GLY 25 11.721 4.738 -1.335
76 1HA GLY 25 2HA GLY 25 13.068 3.411 -2.980
77 2HA GLY 25 1HA GLY 25 14.275 3.301 -1.708
78 H ARG 26 H ARG 26 10.806 3.070 -1.176
79 HA ARG 26 HA ARG 26 11.155 0.191 -0.618
80 1HB ARG 26 2HB ARG 26 9.189 1.703 1.010
81 2HB ARG 26 1HB ARG 26 10.194 0.332 1.451
82 1HG ARG 26 2HG ARG 26 11.241 3.126 1.092
83 2HG ARG 26 1HG ARG 26 10.719 2.461 2.640
84 1HD ARG 26 2HD ARG 26 12.411 0.746 2.528
85 2HD ARG 26 1HD ARG 26 12.873 1.258 0.905
86 HE ARG 26 HE ARG 26 13.143 3.435 2.652
87 1HH1 ARG 26 1HH1 ARG 26 14.605 0.339 2.006
88 2HH1 ARG 26 2HH1 ARG 26 16.170 0.816 2.575
89 1HH2 ARG 26 1HH2 ARG 26 15.200 4.071 3.401
90 2HH2 ARG 26 2HH2 ARG 26 16.508 2.936 3.369
91 H THR 27 H THR 27 9.048 -0.983 -0.522
92 HA THR 27 HA THR 27 7.233 0.035 -2.601
93 HB THR 27 HB THR 27 7.475 -2.815 -1.607
94 HG1 THR 27 1HG THR 27 8.467 -1.936 -4.097
95 1HG2 THR 27 1HG2 THR 27 6.282 -3.371 -3.667
96 2HG2 THR 27 2HG2 THR 27 6.204 -1.662 -4.094
97 3HG2 THR 27 3HG2 THR 27 5.337 -2.257 -2.680
98 H TYR 28 H TYR 28 5.527 1.052 -1.706
99 HA TYR 28 HA TYR 28 4.370 -0.104 0.744
100 1HB TYR 28 2HB TYR 28 3.646 2.033 1.398
101 2HB TYR 28 1HB TYR 28 5.265 2.296 0.755
102 HD1 TYR 28 1HD TYR 28 5.518 3.275 -1.542
103 HD2 TYR 28 2HD TYR 28 1.759 3.100 0.442
104 HE1 TYR 28 1HE TYR 28 4.642 4.998 -3.062
105 HE2 TYR 28 2HE TYR 28 0.870 4.818 -1.075
106 HH TYR 28 HH TYR 28 1.700 6.620 -2.508
107 H TYR 29 H TYR 29 1.988 0.223 0.994
108 HA TYR 29 HA TYR 29 0.589 0.019 -1.586
109 1HB TYR 29 2HB TYR 29 0.251 -1.789 0.813
110 2HB TYR 29 1HB TYR 29 -0.848 -1.761 -0.562
111 HD1 TYR 29 1HD TYR 29 2.643 -2.471 0.449
112 HD2 TYR 29 2HD TYR 29 -0.344 -2.952 -2.542
113 HE1 TYR 29 1HE TYR 29 4.075 -4.097 -0.711
114 HE2 TYR 29 2HE TYR 29 1.080 -4.579 -3.712
115 HH TYR 29 HH TYR 29 3.843 -5.956 -2.298
116 H TYR 30 H TYR 30 -1.346 1.030 -1.714
117 HA TYR 30 HA TYR 30 -2.251 2.446 0.702
118 1HB TYR 30 2HB TYR 30 -1.623 4.007 -1.011
119 2HB TYR 30 1HB TYR 30 -2.542 3.134 -2.226
120 HD1 TYR 30 1HD TYR 30 -5.018 3.241 -2.216
121 HD2 TYR 30 2HD TYR 30 -2.668 5.626 0.411
122 HE1 TYR 30 1HE TYR 30 -6.959 4.693 -1.805
123 HE2 TYR 30 2HE TYR 30 -4.604 7.077 0.833
124 HH TYR 30 HH TYR 30 -6.711 7.706 -0.283
125 H ASN 31 H ASN 31 -3.981 1.646 1.635
126 HA ASN 31 HA ASN 31 -5.646 -0.313 0.409
127 1HB ASN 31 2HB ASN 31 -5.133 -0.189 2.861
128 2HB ASN 31 1HB ASN 31 -6.161 1.236 2.955
129 1HD2 ASN 31 1HD2 ASN 31 -6.811 -1.527 0.909
130 2HD2 ASN 31 2HD2 ASN 31 -8.210 -2.070 1.762
131 H THR 32 H THR 32 -7.318 0.014 -0.908
132 HA THR 32 HA THR 32 -8.449 2.705 -1.096
133 HB THR 32 HB THR 32 -7.809 1.707 -3.210
134 HG1 THR 32 1HG THR 32 -10.619 1.531 -3.261
135 1HG2 THR 32 1HG2 THR 32 -8.017 -0.648 -2.632
136 2HG2 THR 32 2HG2 THR 32 -8.955 -0.287 -4.077
137 3HG2 THR 32 3HG2 THR 32 -9.768 -0.485 -2.524
138 H GLU 33 H GLU 33 -9.075 -0.094 0.551
139 HA GLU 33 HA GLU 33 -11.955 -0.068 0.371
140 1HB GLU 33 2HB GLU 33 -9.974 -1.852 1.350
141 2HB GLU 33 1HB GLU 33 -11.021 -1.448 2.701
142 1HG GLU 33 2HG GLU 33 -12.973 -2.098 1.352
143 2HG GLU 33 1HG GLU 33 -11.886 -2.569 0.046
144 H THR 34 H THR 34 -9.770 0.311 3.157
145 HA THR 34 HA THR 34 -11.739 1.826 4.613
146 HB THR 34 HB THR 34 -8.829 1.437 5.331
147 HG1 THR 34 1HG THR 34 -10.575 -0.194 6.623
148 1HG2 THR 34 1HG2 THR 34 -9.992 3.141 6.642
149 2HG2 THR 34 2HG2 THR 34 -9.643 1.723 7.632
150 3HG2 THR 34 3HG2 THR 34 -11.275 1.989 7.018
151 H LYS 35 H LYS 35 -9.276 2.493 2.381
152 HA LYS 35 HA LYS 35 -8.582 4.414 1.390
153 1HB LYS 35 2HB LYS 35 -10.513 5.817 3.247
154 2HB LYS 35 1HB LYS 35 -9.715 6.535 1.856
155 1HG LYS 35 2HG LYS 35 -11.578 4.181 1.678
156 2HG LYS 35 1HG LYS 35 -12.091 5.860 1.488
157 1HD LYS 35 2HD LYS 35 -10.480 6.102 -0.374
158 2HD LYS 35 1HD LYS 35 -10.076 4.392 -0.213
159 1HE LYS 35 2HE LYS 35 -12.375 3.787 -0.725
160 2HE LYS 35 1HE LYS 35 -12.817 5.491 -0.833
161 1HZ LYS 35 1HZ LYS 35 -11.313 5.729 -2.706
162 2HZ LYS 35 2HZ LYS 35 -12.455 4.519 -3.019
163 3HZ LYS 35 3HZ LYS 35 -10.873 4.099 -2.597
164 H GLN 36 H GLN 36 -6.683 3.628 2.682
165 HA GLN 36 HA GLN 36 -5.550 5.894 4.067
166 1HB GLN 36 2HB GLN 36 -4.846 4.477 6.025
167 2HB GLN 36 1HB GLN 36 -6.563 4.857 5.960
168 1HG GLN 36 2HG GLN 36 -7.019 2.652 5.022
169 2HG GLN 36 1HG GLN 36 -5.299 2.267 5.091
170 1HE2 GLN 36 1HE2 GLN 36 -7.564 0.957 6.387
171 2HE2 GLN 36 2HE2 GLN 36 -7.236 0.995 8.084
172 H SER 37 H SER 37 -3.218 5.460 4.626
173 HA SER 37 HA SER 37 -2.032 3.820 2.497
174 1HB SER 37 2HB SER 37 -0.682 5.978 4.134
175 2HB SER 37 1HB SER 37 -0.104 5.247 2.636
176 HG SER 37 HG SER 37 -1.581 6.357 1.503
177 H THR 38 H THR 38 -0.621 2.185 2.951
178 HA THR 38 HA THR 38 0.215 1.812 5.732
179 HB THR 38 HB THR 38 -1.871 0.522 5.427
180 HG1 THR 38 1HG THR 38 -0.456 -1.644 5.732
181 1HG2 THR 38 1HG2 THR 38 -0.275 -1.024 3.379
182 2HG2 THR 38 2HG2 THR 38 -1.643 0.034 3.032
183 3HG2 THR 38 3HG2 THR 38 -1.884 -1.441 3.970
184 H TRP 39 H TRP 39 1.903 0.238 6.023
185 HA TRP 39 HA TRP 39 3.712 0.090 3.702
186 1HB TRP 39 2HB TRP 39 4.185 0.018 6.685
187 2HB TRP 39 1HB TRP 39 5.428 -0.424 5.523
188 HD1 TRP 39 HD TRP 39 3.910 2.546 7.218
189 HE1 TRP 39 1HE TRP 39 5.041 4.699 6.359
190 HE3 TRP 39 3HE TRP 39 6.421 0.584 3.232
191 HZ2 TRP 39 2HZ TRP 39 6.776 5.451 4.247
192 HZ3 TRP 39 3HZ TRP 39 7.786 2.077 1.842
193 HH2 TRP 39 HH TRP 39 7.966 4.457 2.337
194 H GLU 40 H GLU 40 5.090 -1.856 3.579
195 HA GLU 40 HA GLU 40 5.394 -4.096 3.369
196 1HB GLU 40 2HB GLU 40 5.402 -4.002 5.849
197 2HB GLU 40 1HB GLU 40 3.670 -4.300 5.840
198 1HG GLU 40 2HG GLU 40 4.062 -6.458 4.742
199 2HG GLU 40 1HG GLU 40 5.799 -6.161 4.813
200 H LYS 41 H LYS 41 4.506 -5.734 2.230
201 HA LYS 41 HA LYS 41 2.041 -5.366 0.962
202 1HB LYS 41 2HB LYS 41 3.785 -6.688 -0.070
203 2HB LYS 41 1HB LYS 41 3.727 -7.858 1.242
204 1HG LYS 41 2HG LYS 41 2.025 -8.964 0.320
205 2HG LYS 41 1HG LYS 41 1.148 -7.479 -0.056
206 1HD LYS 41 2HD LYS 41 2.493 -7.155 -2.045
207 2HD LYS 41 1HD LYS 41 3.465 -8.573 -1.650
208 1HE LYS 41 2HE LYS 41 0.498 -8.619 -2.184
209 2HE LYS 41 1HE LYS 41 1.735 -8.993 -3.385
210 1HZ LYS 41 1HZ LYS 41 0.838 -10.997 -2.376
211 2HZ LYS 41 2HZ LYS 41 1.303 -10.462 -0.838
212 3HZ LYS 41 3HZ LYS 41 2.479 -10.824 -1.999
213 HA PRO 42 HA PRO 42 -0.436 -7.027 4.350
214 1HB PRO 42 2HB PRO 42 -2.778 -5.976 3.613
215 2HB PRO 42 1HB PRO 42 -1.489 -4.965 4.282
216 1HG PRO 42 2HG PRO 42 -2.314 -5.344 1.432
217 2HG PRO 42 1HG PRO 42 -1.853 -3.856 2.277
218 1HD PRO 42 2HD PRO 42 -0.172 -5.326 0.654
219 2HD PRO 42 1HD PRO 42 0.370 -4.213 1.927
220 HA PRO 5 HA PRO 5 -1.437 7.925 -7.432
221 1HB PRO 5 2HB PRO 5 0.637 9.552 -6.238
222 2HB PRO 5 1HB PRO 5 0.765 8.408 -7.574
223 1HG PRO 5 2HG PRO 5 1.050 11.107 -7.866
224 2HG PRO 5 1HG PRO 5 0.491 10.033 -9.159
225 1HD PRO 5 2HD PRO 5 -1.101 11.806 -7.342
226 2HD PRO 5 1HD PRO 5 -1.300 11.503 -9.082
227 HA PRO 6 HA PRO 6 -2.859 8.227 -3.225
228 1HB PRO 6 2HB PRO 6 -1.412 5.782 -2.601
229 2HB PRO 6 1HB PRO 6 -3.150 6.029 -2.770
230 1HG PRO 6 2HG PRO 6 -1.705 4.573 -4.532
231 2HG PRO 6 1HG PRO 6 -3.148 5.490 -4.998
232 1HD PRO 6 2HD PRO 6 -0.255 6.231 -5.319
233 2HD PRO 6 1HD PRO 6 -1.596 6.401 -6.475
234 HA PRO 7 HA PRO 7 0.560 9.885 -0.950
235 1HB PRO 7 2HB PRO 7 -0.886 9.673 1.536
236 2HB PRO 7 1HB PRO 7 -0.618 11.106 0.543
237 1HG PRO 7 2HG PRO 7 -3.065 9.927 0.908
238 2HG PRO 7 1HG PRO 7 -2.634 10.910 -0.502
239 1HD PRO 7 2HD PRO 7 -2.735 7.929 -0.223
240 2HD PRO 7 1HD PRO 7 -3.230 8.957 -1.589
241 H LEU 8 H LEU 8 2.230 9.296 0.411
242 HA LEU 8 HA LEU 8 2.498 6.484 0.918
243 1HB LEU 8 2HB LEU 8 4.363 7.859 0.117
244 2HB LEU 8 1HB LEU 8 4.296 8.824 1.581
245 HG LEU 8 HG LEU 8 4.786 6.603 2.807
246 1HD1 LEU 8 1HD1 LEU 8 6.001 5.833 0.190
247 2HD1 LEU 8 2HD1 LEU 8 4.344 5.377 0.574
248 3HD1 LEU 8 3HD1 LEU 8 5.665 4.839 1.605
249 1HD2 LEU 8 1HD2 LEU 8 7.188 6.907 2.487
250 2HD2 LEU 8 2HD2 LEU 8 6.366 8.461 2.638
251 3HD2 LEU 8 3HD2 LEU 8 6.879 7.886 1.052
252 HA PRO 9 HA PRO 9 1.207 6.606 5.184
253 1HB PRO 9 2HB PRO 9 2.628 4.167 5.753
254 2HB PRO 9 1HB PRO 9 0.899 4.392 5.496
255 1HG PRO 9 2HG PRO 9 2.550 3.031 3.776
256 2HG PRO 9 1HG PRO 9 1.026 3.795 3.301
257 1HD PRO 9 2HD PRO 9 3.828 4.771 2.956
258 2HD PRO 9 1HD PRO 9 2.441 4.900 1.853
259 HA PRO 10 HA PRO 10 4.751 8.078 7.422
260 1HB PRO 10 2HB PRO 10 3.686 8.369 9.868
261 2HB PRO 10 1HB PRO 10 3.198 9.403 8.520
262 1HG PRO 10 2HG PRO 10 1.805 7.026 9.685
263 2HG PRO 10 1HG PRO 10 1.122 8.568 9.140
264 1HD PRO 10 2HD PRO 10 1.106 6.253 7.653
265 2HD PRO 10 1HD PRO 10 1.020 7.883 6.962
Start of MODEL 10
1 H SER 15 H SER 15 -7.651 -8.690 -0.143
2 HA SER 15 HA SER 15 -7.367 -7.518 -2.069
3 1HB SER 15 2HB SER 15 -10.394 -7.632 -2.145
4 2HB SER 15 1HB SER 15 -9.342 -7.268 -3.514
5 HG SER 15 HG SER 15 -9.899 -9.690 -2.291
6 H MET 16 H MET 16 -8.694 -5.500 -3.327
7 HA MET 16 HA MET 16 -9.110 -3.266 -3.341
8 1HB MET 16 2HB MET 16 -9.690 -3.688 -0.404
9 2HB MET 16 1HB MET 16 -9.951 -2.173 -1.255
10 1HG MET 16 2HG MET 16 -11.272 -4.784 -1.954
11 2HG MET 16 1HG MET 16 -12.000 -3.512 -0.973
12 1HE MET 16 1HE MET 16 -14.093 -3.400 -2.503
13 2HE MET 16 2HE MET 16 -13.470 -4.667 -3.561
14 3HE MET 16 3HE MET 16 -14.053 -3.151 -4.249
15 H TRP 17 H TRP 17 -6.580 -3.769 -3.538
16 HA TRP 17 HA TRP 17 -5.292 -1.726 -1.881
17 1HB TRP 17 2HB TRP 17 -4.274 -4.540 -2.276
18 2HB TRP 17 1HB TRP 17 -3.256 -3.220 -1.721
19 HD1 TRP 17 HD TRP 17 -6.120 -5.478 -0.572
20 HE1 TRP 17 1HE TRP 17 -6.304 -5.323 1.991
21 HE3 TRP 17 3HE TRP 17 -2.798 -1.687 0.244
22 HZ2 TRP 17 2HZ TRP 17 -5.178 -3.794 4.085
23 HZ3 TRP 17 3HZ TRP 17 -2.405 -0.938 2.552
24 HH2 TRP 17 HH TRP 17 -3.571 -1.969 4.433
25 H THR 18 H THR 18 -3.544 -0.682 -2.840
26 HA THR 18 HA THR 18 -3.083 -1.308 -5.688
27 HB THR 18 HB THR 18 -2.711 1.037 -6.131
28 HG1 THR 18 1HG THR 18 -3.451 1.678 -3.477
29 1HG2 THR 18 1HG2 THR 18 -4.947 1.955 -5.673
30 2HG2 THR 18 2HG2 THR 18 -5.244 0.641 -4.535
31 3HG2 THR 18 3HG2 THR 18 -5.027 0.291 -6.249
32 H GLU 19 H GLU 19 -0.935 -1.093 -6.457
33 HA GLU 19 HA GLU 19 1.061 -1.278 -4.312
34 1HB GLU 19 2HB GLU 19 0.845 -3.237 -5.778
35 2HB GLU 19 1HB GLU 19 1.219 -2.234 -7.171
36 1HG GLU 19 2HG GLU 19 3.439 -1.785 -6.257
37 2HG GLU 19 1HG GLU 19 3.061 -2.785 -4.855
38 H HIS 20 H HIS 20 2.645 0.129 -4.098
39 HA HIS 20 HA HIS 20 3.547 1.769 -6.316
40 1HB HIS 20 2HB HIS 20 2.228 2.905 -3.855
41 2HB HIS 20 1HB HIS 20 3.355 3.845 -4.825
42 HD1 HIS 20 1HD HIS 20 2.604 4.328 -7.333
43 HD2 HIS 20 2HD HIS 20 -0.336 2.779 -4.837
44 HE1 HIS 20 1HE HIS 20 0.426 4.749 -8.517
45 HE2 HIS 20 2HE HIS 20 -1.343 3.885 -6.945
46 H LYS 21 H LYS 21 5.435 3.224 -5.503
47 HA LYS 21 HA LYS 21 6.927 1.747 -3.435
48 1HB LYS 21 2HB LYS 21 7.849 2.612 -6.161
49 2HB LYS 21 1HB LYS 21 8.991 2.297 -4.862
50 1HG LYS 21 2HG LYS 21 8.157 0.013 -4.673
51 2HG LYS 21 1HG LYS 21 6.998 0.328 -5.968
52 1HD LYS 21 2HD LYS 21 8.708 0.563 -7.576
53 2HD LYS 21 1HD LYS 21 9.961 0.686 -6.340
54 1HE LYS 21 2HE LYS 21 8.299 -1.766 -6.908
55 2HE LYS 21 1HE LYS 21 9.955 -1.507 -7.458
56 1HZ LYS 21 1HZ LYS 21 10.661 -1.392 -5.147
57 2HZ LYS 21 2HZ LYS 21 9.893 -2.867 -5.466
58 3HZ LYS 21 3HZ LYS 21 9.072 -1.650 -4.625
59 H SER 22 H SER 22 7.403 2.999 -1.786
60 HA SER 22 HA SER 22 7.185 5.732 -1.607
61 1HB SER 22 2HB SER 22 7.411 4.164 0.322
62 2HB SER 22 1HB SER 22 9.123 4.014 -0.053
63 HG SER 22 HG SER 22 9.486 5.995 0.663
64 HA PRO 23 HA PRO 23 10.529 7.471 -3.899
65 1HB PRO 23 2HB PRO 23 10.654 9.528 -1.769
66 2HB PRO 23 1HB PRO 23 10.372 9.717 -3.503
67 1HG PRO 23 2HG PRO 23 8.380 10.012 -1.754
68 2HG PRO 23 1HG PRO 23 8.111 9.228 -3.322
69 1HD PRO 23 2HD PRO 23 8.444 7.988 -0.614
70 2HD PRO 23 1HD PRO 23 7.322 7.552 -1.920
71 H ASP 24 H ASP 24 10.839 6.593 -0.579
72 HA ASP 24 HA ASP 24 13.686 7.120 -0.472
73 1HB ASP 24 2HB ASP 24 12.151 7.329 1.525
74 2HB ASP 24 1HB ASP 24 12.005 5.574 1.512
75 H GLY 25 H GLY 25 12.203 5.088 -2.289
76 1HA GLY 25 2HA GLY 25 12.973 3.194 -3.373
77 2HA GLY 25 1HA GLY 25 14.304 3.119 -2.226
78 H ARG 26 H ARG 26 10.921 3.257 -1.293
79 HA ARG 26 HA ARG 26 11.171 0.495 -0.284
80 1HB ARG 26 2HB ARG 26 9.156 2.327 0.896
81 2HB ARG 26 1HB ARG 26 10.131 1.084 1.667
82 1HG ARG 26 2HG ARG 26 12.059 2.529 1.662
83 2HG ARG 26 1HG ARG 26 11.168 3.753 0.755
84 1HD ARG 26 2HD ARG 26 9.735 4.200 2.576
85 2HD ARG 26 1HD ARG 26 10.276 2.769 3.448
86 HE ARG 26 HE ARG 26 12.544 4.168 3.260
87 1HH1 ARG 26 1HH1 ARG 26 9.329 5.125 4.207
88 2HH1 ARG 26 2HH1 ARG 26 9.878 6.367 5.282
89 1HH2 ARG 26 1HH2 ARG 26 13.271 5.804 4.674
90 2HH2 ARG 26 2HH2 ARG 26 12.116 6.754 5.545
91 H THR 27 H THR 27 9.045 -0.639 -0.040
92 HA THR 27 HA THR 27 7.302 -0.001 -2.329
93 HB THR 27 HB THR 27 7.666 -2.690 -0.988
94 HG1 THR 27 1HG THR 27 8.977 -3.196 -2.713
95 1HG2 THR 27 1HG2 THR 27 6.262 -1.916 -3.549
96 2HG2 THR 27 2HG2 THR 27 5.474 -2.388 -2.044
97 3HG2 THR 27 3HG2 THR 27 6.451 -3.557 -2.931
98 H TYR 28 H TYR 28 5.507 1.004 -1.657
99 HA TYR 28 HA TYR 28 4.244 0.033 0.822
100 1HB TYR 28 2HB TYR 28 3.615 2.203 1.417
101 2HB TYR 28 1HB TYR 28 5.247 2.413 0.786
102 HD1 TYR 28 1HD TYR 28 5.543 3.331 -1.532
103 HD2 TYR 28 2HD TYR 28 1.766 3.294 0.424
104 HE1 TYR 28 1HE TYR 28 4.724 5.042 -3.096
105 HE2 TYR 28 2HE TYR 28 0.933 5.002 -1.137
106 HH TYR 28 HH TYR 28 1.833 6.758 -2.598
107 H TYR 29 H TYR 29 1.869 0.359 0.909
108 HA TYR 29 HA TYR 29 0.640 0.215 -1.761
109 1HB TYR 29 2HB TYR 29 0.157 -1.654 0.566
110 2HB TYR 29 1HB TYR 29 -0.880 -1.572 -0.853
111 HD1 TYR 29 1HD TYR 29 -0.391 -2.855 -2.739
112 HD2 TYR 29 2HD TYR 29 2.643 -2.211 0.172
113 HE1 TYR 29 1HE TYR 29 1.058 -4.464 -3.903
114 HE2 TYR 29 2HE TYR 29 4.102 -3.817 -0.984
115 HH TYR 29 HH TYR 29 3.887 -5.724 -2.527
116 H TYR 30 H TYR 30 -1.563 0.824 -1.876
117 HA TYR 30 HA TYR 30 -2.439 2.478 0.405
118 1HB TYR 30 2HB TYR 30 -1.879 3.838 -1.551
119 2HB TYR 30 1HB TYR 30 -2.974 2.889 -2.546
120 HD1 TYR 30 1HD TYR 30 -5.445 3.002 -2.082
121 HD2 TYR 30 2HD TYR 30 -2.667 5.673 -0.284
122 HE1 TYR 30 1HE TYR 30 -7.288 4.538 -1.534
123 HE2 TYR 30 2HE TYR 30 -4.502 7.211 0.278
124 HH TYR 30 HH TYR 30 -7.781 6.328 0.051
125 H ASN 31 H ASN 31 -4.143 1.715 1.431
126 HA ASN 31 HA ASN 31 -5.779 -0.369 0.303
127 1HB ASN 31 2HB ASN 31 -5.120 -0.319 2.710
128 2HB ASN 31 1HB ASN 31 -6.115 1.115 2.919
129 1HD2 ASN 31 1HD2 ASN 31 -7.420 0.093 4.424
130 2HD2 ASN 31 2HD2 ASN 31 -8.583 -1.103 3.973
131 H THR 32 H THR 32 -7.570 -0.067 -0.854
132 HA THR 32 HA THR 32 -8.768 2.600 -0.908
133 HB THR 32 HB THR 32 -8.258 1.635 -3.080
134 HG1 THR 32 1HG THR 32 -10.803 1.415 -3.593
135 1HG2 THR 32 1HG2 THR 32 -9.447 -0.355 -3.893
136 2HG2 THR 32 2HG2 THR 32 -10.152 -0.581 -2.292
137 3HG2 THR 32 3HG2 THR 32 -8.410 -0.732 -2.518
138 H GLU 33 H GLU 33 -9.239 -0.371 0.583
139 HA GLU 33 HA GLU 33 -12.094 -0.416 0.653
140 1HB GLU 33 2HB GLU 33 -10.721 -2.435 1.016
141 2HB GLU 33 1HB GLU 33 -10.094 -1.735 2.501
142 1HG GLU 33 2HG GLU 33 -11.805 -3.335 3.020
143 2HG GLU 33 1HG GLU 33 -12.371 -1.716 3.428
144 H THR 34 H THR 34 -9.687 0.262 3.195
145 HA THR 34 HA THR 34 -11.691 1.674 4.758
146 HB THR 34 HB THR 34 -8.764 1.245 5.396
147 HG1 THR 34 1HG THR 34 -10.203 -0.307 6.904
148 1HG2 THR 34 1HG2 THR 34 -9.497 1.637 7.722
149 2HG2 THR 34 2HG2 THR 34 -11.118 2.005 7.130
150 3HG2 THR 34 3HG2 THR 34 -9.761 3.043 6.690
151 H LYS 35 H LYS 35 -9.257 2.313 2.483
152 HA LYS 35 HA LYS 35 -8.604 4.216 1.432
153 1HB LYS 35 2HB LYS 35 -10.446 5.716 3.300
154 2HB LYS 35 1HB LYS 35 -9.754 6.312 1.797
155 1HG LYS 35 2HG LYS 35 -11.024 4.610 0.559
156 2HG LYS 35 1HG LYS 35 -11.753 4.079 2.075
157 1HD LYS 35 2HD LYS 35 -12.643 6.379 2.386
158 2HD LYS 35 1HD LYS 35 -12.019 6.793 0.788
159 1HE LYS 35 2HE LYS 35 -14.076 4.678 1.415
160 2HE LYS 35 1HE LYS 35 -14.384 6.244 0.667
161 1HZ LYS 35 1HZ LYS 35 -14.284 4.482 -0.978
162 2HZ LYS 35 2HZ LYS 35 -12.717 4.076 -0.491
163 3HZ LYS 35 3HZ LYS 35 -13.017 5.578 -1.209
164 H GLN 36 H GLN 36 -6.690 3.450 2.721
165 HA GLN 36 HA GLN 36 -5.539 5.751 4.042
166 1HB GLN 36 2HB GLN 36 -4.778 4.345 5.998
167 2HB GLN 36 1HB GLN 36 -6.493 4.739 5.974
168 1HG GLN 36 2HG GLN 36 -6.991 2.526 5.073
169 2HG GLN 36 1HG GLN 36 -5.272 2.130 5.094
170 1HE2 GLN 36 1HE2 GLN 36 -4.831 3.547 7.615
171 2HE2 GLN 36 2HE2 GLN 36 -5.495 2.542 8.853
172 H SER 37 H SER 37 -3.199 5.377 4.526
173 HA SER 37 HA SER 37 -2.043 3.658 2.439
174 1HB SER 37 2HB SER 37 -0.770 5.995 3.887
175 2HB SER 37 1HB SER 37 -0.104 5.128 2.503
176 HG SER 37 HG SER 37 -1.419 6.167 1.202
177 H THR 38 H THR 38 -0.495 2.128 2.933
178 HA THR 38 HA THR 38 0.446 1.959 5.689
179 HB THR 38 HB THR 38 -1.756 0.552 5.141
180 HG1 THR 38 1HG THR 38 -1.158 -0.705 6.907
181 1HG2 THR 38 1HG2 THR 38 -1.234 -1.756 4.609
182 2HG2 THR 38 2HG2 THR 38 0.479 -1.369 4.462
183 3HG2 THR 38 3HG2 THR 38 -0.674 -0.711 3.303
184 H TRP 39 H TRP 39 2.069 0.221 5.989
185 HA TRP 39 HA TRP 39 3.849 0.072 3.646
186 1HB TRP 39 2HB TRP 39 4.393 -0.173 6.615
187 2HB TRP 39 1HB TRP 39 5.605 -0.434 5.367
188 HD1 TRP 39 HD TRP 39 3.983 2.288 7.375
189 HE1 TRP 39 1HE TRP 39 4.972 4.568 6.681
190 HE3 TRP 39 3HE TRP 39 6.500 0.820 3.189
191 HZ2 TRP 39 2HZ TRP 39 6.612 5.594 4.612
192 HZ3 TRP 39 3HZ TRP 39 7.746 2.497 1.910
193 HH2 TRP 39 HH TRP 39 7.807 4.837 2.608
194 H GLU 40 H GLU 40 5.226 -1.893 3.529
195 HA GLU 40 HA GLU 40 5.525 -4.127 3.310
196 1HB GLU 40 2HB GLU 40 5.354 -4.120 5.784
197 2HB GLU 40 1HB GLU 40 3.621 -4.379 5.643
198 1HG GLU 40 2HG GLU 40 4.012 -6.515 4.549
199 2HG GLU 40 1HG GLU 40 5.753 -6.254 4.644
200 H LYS 41 H LYS 41 4.699 -5.772 2.146
201 HA LYS 41 HA LYS 41 2.501 -5.367 0.524
202 1HB LYS 41 2HB LYS 41 3.821 -7.975 1.286
203 2HB LYS 41 1HB LYS 41 2.700 -7.777 -0.052
204 1HG LYS 41 2HG LYS 41 4.232 -6.247 -1.144
205 2HG LYS 41 1HG LYS 41 5.344 -6.363 0.220
206 1HD LYS 41 2HD LYS 41 6.193 -7.807 -1.453
207 2HD LYS 41 1HD LYS 41 5.451 -8.845 -0.236
208 1HE LYS 41 2HE LYS 41 3.980 -7.944 -2.700
209 2HE LYS 41 1HE LYS 41 4.983 -9.391 -2.682
210 1HZ LYS 41 1HZ LYS 41 3.591 -10.145 -0.757
211 2HZ LYS 41 2HZ LYS 41 2.786 -10.076 -2.241
212 3HZ LYS 41 3HZ LYS 41 2.540 -8.863 -1.091
213 HA PRO 42 HA PRO 42 -0.797 -6.748 3.231
214 1HB PRO 42 2HB PRO 42 -2.802 -5.666 1.874
215 2HB PRO 42 1HB PRO 42 -1.591 -4.634 2.644
216 1HG PRO 42 2HG PRO 42 -1.947 -5.312 -0.227
217 2HG PRO 42 1HG PRO 42 -1.329 -3.825 0.509
218 1HD PRO 42 2HD PRO 42 0.185 -5.996 -0.551
219 2HD PRO 42 1HD PRO 42 0.799 -4.568 0.304
220 HA PRO 5 HA PRO 5 -1.254 8.060 -7.416
221 1HB PRO 5 2HB PRO 5 0.824 9.724 -6.271
222 2HB PRO 5 1HB PRO 5 0.950 8.536 -7.566
223 1HG PRO 5 2HG PRO 5 1.237 11.218 -7.960
224 2HG PRO 5 1HG PRO 5 0.654 10.103 -9.208
225 1HD PRO 5 2HD PRO 5 -0.905 11.944 -7.433
226 2HD PRO 5 1HD PRO 5 -1.128 11.584 -9.160
227 HA PRO 6 HA PRO 6 -2.674 8.454 -3.229
228 1HB PRO 6 2HB PRO 6 -1.296 6.013 -2.517
229 2HB PRO 6 1HB PRO 6 -3.020 6.274 -2.778
230 1HG PRO 6 2HG PRO 6 -1.461 4.775 -4.423
231 2HG PRO 6 1HG PRO 6 -2.923 5.620 -4.960
232 1HD PRO 6 2HD PRO 6 -0.051 6.426 -5.271
233 2HD PRO 6 1HD PRO 6 -1.391 6.555 -6.432
234 HA PRO 7 HA PRO 7 0.729 10.074 -0.915
235 1HB PRO 7 2HB PRO 7 -0.394 10.287 1.517
236 2HB PRO 7 1HB PRO 7 -0.905 11.303 0.164
237 1HG PRO 7 2HG PRO 7 -2.207 8.869 1.307
238 2HG PRO 7 1HG PRO 7 -2.950 10.367 0.718
239 1HD PRO 7 2HD PRO 7 -2.795 8.020 -0.727
240 2HD PRO 7 1HD PRO 7 -2.978 9.636 -1.444
241 H LEU 8 H LEU 8 2.373 9.451 0.480
242 HA LEU 8 HA LEU 8 2.588 6.626 0.948
243 1HB LEU 8 2HB LEU 8 4.480 7.993 0.191
244 2HB LEU 8 1HB LEU 8 4.421 8.914 1.685
245 HG LEU 8 HG LEU 8 4.848 6.636 2.834
246 1HD1 LEU 8 1HD1 LEU 8 4.413 5.504 0.557
247 2HD1 LEU 8 2HD1 LEU 8 5.724 4.908 1.566
248 3HD1 LEU 8 3HD1 LEU 8 6.076 5.958 0.194
249 1HD2 LEU 8 1HD2 LEU 8 6.458 8.480 2.756
250 2HD2 LEU 8 2HD2 LEU 8 6.993 7.945 1.162
251 3HD2 LEU 8 3HD2 LEU 8 7.257 6.918 2.572
252 HA PRO 9 HA PRO 9 1.233 6.658 5.195
253 1HB PRO 9 2HB PRO 9 2.665 4.208 5.727
254 2HB PRO 9 1HB PRO 9 0.935 4.434 5.468
255 1HG PRO 9 2HG PRO 9 2.581 3.112 3.726
256 2HG PRO 9 1HG PRO 9 1.073 3.912 3.251
257 1HD PRO 9 2HD PRO 9 3.894 4.866 2.983
258 2HD PRO 9 1HD PRO 9 2.535 5.025 1.851
259 HA PRO 10 HA PRO 10 4.776 8.011 7.528
260 1HB PRO 10 2HB PRO 10 3.610 8.493 9.886
261 2HB PRO 10 1HB PRO 10 3.229 9.468 8.461
262 1HG PRO 10 2HG PRO 10 1.665 7.264 9.727
263 2HG PRO 10 1HG PRO 10 1.089 8.770 8.991
264 1HD PRO 10 2HD PRO 10 1.117 6.272 7.756
265 2HD PRO 10 1HD PRO 10 0.985 7.830 6.922
Start of MODEL 11
1 H SER 15 H SER 15 -9.277 -6.604 0.536
2 HA SER 15 HA SER 15 -8.036 -6.948 -1.977
3 1HB SER 15 2HB SER 15 -10.037 -6.661 -3.425
4 2HB SER 15 1HB SER 15 -10.042 -8.199 -2.564
5 HG SER 15 HG SER 15 -11.664 -7.524 -1.322
6 H MET 16 H MET 16 -8.997 -5.006 -3.496
7 HA MET 16 HA MET 16 -9.186 -2.763 -3.804
8 1HB MET 16 2HB MET 16 -9.980 -2.653 -0.889
9 2HB MET 16 1HB MET 16 -10.212 -1.380 -2.074
10 1HG MET 16 2HG MET 16 -11.479 -4.102 -2.219
11 2HG MET 16 1HG MET 16 -12.261 -2.658 -1.579
12 1HE MET 16 1HE MET 16 -14.109 -3.197 -4.992
13 2HE MET 16 2HE MET 16 -14.289 -3.035 -3.244
14 3HE MET 16 3HE MET 16 -13.510 -4.464 -3.922
15 H TRP 17 H TRP 17 -6.706 -3.481 -3.703
16 HA TRP 17 HA TRP 17 -5.386 -1.488 -1.983
17 1HB TRP 17 2HB TRP 17 -4.357 -4.261 -2.615
18 2HB TRP 17 1HB TRP 17 -3.453 -3.018 -1.762
19 HD1 TRP 17 HD TRP 17 -6.503 -5.320 -1.303
20 HE1 TRP 17 1HE TRP 17 -6.922 -5.606 1.222
21 HE3 TRP 17 3HE TRP 17 -3.048 -1.998 0.477
22 HZ2 TRP 17 2HZ TRP 17 -5.917 -4.568 3.644
23 HZ3 TRP 17 3HZ TRP 17 -2.838 -1.708 2.910
24 HH2 TRP 17 HH TRP 17 -4.242 -2.967 4.460
25 H THR 18 H THR 18 -3.264 -0.801 -2.791
26 HA THR 18 HA THR 18 -2.898 -1.167 -5.685
27 HB THR 18 HB THR 18 -2.457 1.186 -6.028
28 HG1 THR 18 1HG THR 18 -2.016 1.257 -3.472
29 1HG2 THR 18 1HG2 THR 18 -4.693 2.123 -5.627
30 2HG2 THR 18 2HG2 THR 18 -5.052 0.785 -4.535
31 3HG2 THR 18 3HG2 THR 18 -4.782 0.475 -6.249
32 H GLU 19 H GLU 19 -0.762 -1.112 -6.388
33 HA GLU 19 HA GLU 19 1.220 -1.251 -4.226
34 1HB GLU 19 2HB GLU 19 1.007 -3.283 -5.549
35 2HB GLU 19 1HB GLU 19 1.297 -2.380 -7.028
36 1HG GLU 19 2HG GLU 19 3.358 -2.301 -4.885
37 2HG GLU 19 1HG GLU 19 3.204 -3.759 -5.865
38 H HIS 20 H HIS 20 2.609 0.324 -3.988
39 HA HIS 20 HA HIS 20 3.626 1.759 -6.320
40 1HB HIS 20 2HB HIS 20 2.297 3.044 -3.936
41 2HB HIS 20 1HB HIS 20 3.415 3.922 -4.973
42 HD1 HIS 20 1HD HIS 20 2.641 4.326 -7.457
43 HD2 HIS 20 2HD HIS 20 -0.258 2.735 -4.939
44 HE1 HIS 20 1HE HIS 20 0.457 4.636 -8.666
45 HE2 HIS 20 2HE HIS 20 -1.267 3.572 -7.168
46 H LYS 21 H LYS 21 5.572 3.111 -5.701
47 HA LYS 21 HA LYS 21 7.037 1.733 -3.547
48 1HB LYS 21 2HB LYS 21 7.954 2.703 -6.240
49 2HB LYS 21 1HB LYS 21 9.095 2.398 -4.938
50 1HG LYS 21 2HG LYS 21 8.303 0.071 -4.820
51 2HG LYS 21 1HG LYS 21 7.217 0.393 -6.174
52 1HD LYS 21 2HD LYS 21 9.090 0.878 -7.619
53 2HD LYS 21 1HD LYS 21 10.216 0.718 -6.269
54 1HE LYS 21 2HE LYS 21 8.481 -1.480 -7.391
55 2HE LYS 21 1HE LYS 21 10.206 -1.277 -7.688
56 1HZ LYS 21 1HZ LYS 21 10.600 -1.569 -5.315
57 2HZ LYS 21 2HZ LYS 21 9.814 -2.914 -5.971
58 3HZ LYS 21 3HZ LYS 21 8.944 -1.793 -5.050
59 H SER 22 H SER 22 7.437 2.977 -1.850
60 HA SER 22 HA SER 22 7.164 5.707 -1.650
61 1HB SER 22 2HB SER 22 7.371 4.159 0.281
62 2HB SER 22 1HB SER 22 9.083 3.978 -0.076
63 HG SER 22 HG SER 22 7.969 5.813 1.415
64 HA PRO 23 HA PRO 23 10.460 7.583 -3.882
65 1HB PRO 23 2HB PRO 23 10.710 9.430 -1.567
66 2HB PRO 23 1HB PRO 23 10.444 9.791 -3.277
67 1HG PRO 23 2HG PRO 23 8.449 10.004 -1.537
68 2HG PRO 23 1HG PRO 23 8.167 9.333 -3.154
69 1HD PRO 23 2HD PRO 23 8.453 7.911 -0.534
70 2HD PRO 23 1HD PRO 23 7.332 7.585 -1.870
71 H ASP 24 H ASP 24 11.058 7.140 -0.399
72 HA ASP 24 HA ASP 24 13.846 7.403 -0.487
73 1HB ASP 24 2HB ASP 24 12.520 7.402 1.603
74 2HB ASP 24 1HB ASP 24 12.209 5.682 1.389
75 H GLY 25 H GLY 25 11.841 4.975 -1.731
76 1HA GLY 25 2HA GLY 25 12.814 3.382 -3.269
77 2HA GLY 25 1HA GLY 25 14.189 3.251 -2.182
78 H ARG 26 H ARG 26 10.740 3.189 -1.381
79 HA ARG 26 HA ARG 26 11.098 0.409 -0.462
80 1HB ARG 26 2HB ARG 26 9.718 2.709 0.876
81 2HB ARG 26 1HB ARG 26 9.277 1.048 1.247
82 1HG ARG 26 2HG ARG 26 10.824 1.397 2.854
83 2HG ARG 26 1HG ARG 26 11.877 0.800 1.574
84 1HD ARG 26 2HD ARG 26 12.896 2.740 2.534
85 2HD ARG 26 1HD ARG 26 12.315 3.159 0.923
86 HE ARG 26 HE ARG 26 10.495 4.345 1.959
87 1HH1 ARG 26 1HH1 ARG 26 13.037 3.316 4.107
88 2HH1 ARG 26 2HH1 ARG 26 12.666 4.495 5.319
89 1HH2 ARG 26 1HH2 ARG 26 9.996 5.898 3.550
90 2HH2 ARG 26 2HH2 ARG 26 10.934 5.961 5.005
91 H THR 27 H THR 27 8.998 -0.773 -0.216
92 HA THR 27 HA THR 27 7.184 -0.045 -2.424
93 HB THR 27 HB THR 27 7.735 -2.790 -1.270
94 HG1 THR 27 1HG THR 27 9.373 -1.685 -2.687
95 1HG2 THR 27 1HG2 THR 27 6.011 -1.905 -3.587
96 2HG2 THR 27 2HG2 THR 27 5.464 -2.652 -2.087
97 3HG2 THR 27 3HG2 THR 27 6.429 -3.581 -3.232
98 H TYR 28 H TYR 28 5.501 1.000 -1.520
99 HA TYR 28 HA TYR 28 4.301 -0.159 0.904
100 1HB TYR 28 2HB TYR 28 3.572 1.966 1.559
101 2HB TYR 28 1HB TYR 28 5.176 2.268 0.899
102 HD1 TYR 28 1HD TYR 28 1.640 2.953 0.606
103 HD2 TYR 28 2HD TYR 28 5.383 3.274 -1.392
104 HE1 TYR 28 1HE TYR 28 0.681 4.639 -0.905
105 HE2 TYR 28 2HE TYR 28 4.433 4.961 -2.909
106 HH TYR 28 HH TYR 28 1.475 6.499 -2.333
107 H TYR 29 H TYR 29 1.890 0.159 1.070
108 HA TYR 29 HA TYR 29 0.611 -0.064 -1.571
109 1HB TYR 29 2HB TYR 29 0.186 -1.904 0.789
110 2HB TYR 29 1HB TYR 29 -0.828 -1.888 -0.650
111 HD1 TYR 29 1HD TYR 29 -0.195 -3.072 -2.587
112 HD2 TYR 29 2HD TYR 29 2.632 -2.498 0.540
113 HE1 TYR 29 1HE TYR 29 1.337 -4.648 -3.690
114 HE2 TYR 29 2HE TYR 29 4.171 -4.072 -0.554
115 HH TYR 29 HH TYR 29 3.750 -5.140 -3.742
116 H TYR 30 H TYR 30 -1.348 0.878 -1.781
117 HA TYR 30 HA TYR 30 -2.368 2.312 0.579
118 1HB TYR 30 2HB TYR 30 -1.696 3.838 -1.166
119 2HB TYR 30 1HB TYR 30 -2.610 2.942 -2.369
120 HD1 TYR 30 1HD TYR 30 -2.765 5.452 0.263
121 HD2 TYR 30 2HD TYR 30 -5.074 3.070 -2.403
122 HE1 TYR 30 1HE TYR 30 -4.706 6.903 0.657
123 HE2 TYR 30 2HE TYR 30 -7.025 4.518 -2.012
124 HH TYR 30 HH TYR 30 -7.863 6.077 -0.364
125 H ASN 31 H ASN 31 -4.287 1.779 1.371
126 HA ASN 31 HA ASN 31 -5.895 -0.204 -0.039
127 1HB ASN 31 2HB ASN 31 -5.302 -0.595 2.329
128 2HB ASN 31 1HB ASN 31 -6.160 0.875 2.777
129 1HD2 ASN 31 1HD2 ASN 31 -7.578 -0.230 4.107
130 2HD2 ASN 31 2HD2 ASN 31 -8.839 -1.235 3.484
131 H THR 32 H THR 32 -7.457 0.496 -1.333
132 HA THR 32 HA THR 32 -8.591 3.137 -1.004
133 HB THR 32 HB THR 32 -8.129 2.394 -3.265
134 HG1 THR 32 1HG THR 32 -10.864 2.256 -3.441
135 1HG2 THR 32 1HG2 THR 32 -10.146 0.202 -2.762
136 2HG2 THR 32 2HG2 THR 32 -8.404 -0.026 -2.918
137 3HG2 THR 32 3HG2 THR 32 -9.345 0.543 -4.296
138 H GLU 33 H GLU 33 -9.185 0.180 0.338
139 HA GLU 33 HA GLU 33 -12.065 0.249 0.365
140 1HB GLU 33 2HB GLU 33 -10.833 -1.878 0.516
141 2HB GLU 33 1HB GLU 33 -10.120 -1.360 2.036
142 1HG GLU 33 2HG GLU 33 -11.896 -2.864 2.520
143 2HG GLU 33 1HG GLU 33 -12.403 -1.246 3.002
144 H THR 34 H THR 34 -9.572 0.575 2.883
145 HA THR 34 HA THR 34 -11.455 1.894 4.657
146 HB THR 34 HB THR 34 -8.511 1.317 5.071
147 HG1 THR 34 1HG THR 34 -9.456 -0.416 6.415
148 1HG2 THR 34 1HG2 THR 34 -10.690 2.041 7.036
149 2HG2 THR 34 2HG2 THR 34 -9.344 3.072 6.546
150 3HG2 THR 34 3HG2 THR 34 -9.035 1.594 7.459
151 H LYS 35 H LYS 35 -9.202 2.697 2.273
152 HA LYS 35 HA LYS 35 -8.490 4.667 1.397
153 1HB LYS 35 2HB LYS 35 -10.288 5.999 3.435
154 2HB LYS 35 1HB LYS 35 -9.614 6.741 1.992
155 1HG LYS 35 2HG LYS 35 -11.475 4.386 1.907
156 2HG LYS 35 1HG LYS 35 -12.032 6.058 1.868
157 1HD LYS 35 2HD LYS 35 -9.945 5.157 -0.070
158 2HD LYS 35 1HD LYS 35 -11.635 4.742 -0.360
159 1HE LYS 35 2HE LYS 35 -11.028 6.805 -1.509
160 2HE LYS 35 1HE LYS 35 -12.241 7.104 -0.265
161 1HZ LYS 35 1HZ LYS 35 -10.501 7.912 1.195
162 2HZ LYS 35 2HZ LYS 35 -10.503 8.786 -0.252
163 3HZ LYS 35 3HZ LYS 35 -9.325 7.602 0.018
164 H GLN 36 H GLN 36 -6.667 3.628 2.749
165 HA GLN 36 HA GLN 36 -5.386 5.815 4.171
166 1HB GLN 36 2HB GLN 36 -4.743 4.339 6.062
167 2HB GLN 36 1HB GLN 36 -6.474 4.641 5.985
168 1HG GLN 36 2HG GLN 36 -6.831 2.471 4.964
169 2HG GLN 36 1HG GLN 36 -5.094 2.167 4.967
170 1HE2 GLN 36 1HE2 GLN 36 -7.245 0.660 6.221
171 2HE2 GLN 36 2HE2 GLN 36 -6.885 0.613 7.910
172 H SER 37 H SER 37 -3.078 5.306 4.630
173 HA SER 37 HA SER 37 -1.987 3.570 2.518
174 1HB SER 37 2HB SER 37 -0.540 5.835 3.901
175 2HB SER 37 1HB SER 37 -0.093 5.020 2.403
176 HG SER 37 HG SER 37 -1.141 7.117 2.165
177 H THR 38 H THR 38 -0.482 2.015 3.039
178 HA THR 38 HA THR 38 0.437 1.884 5.815
179 HB THR 38 HB THR 38 -1.660 0.509 5.561
180 HG1 THR 38 1HG THR 38 -0.167 -1.504 6.272
181 1HG2 THR 38 1HG2 THR 38 0.149 -1.208 3.849
182 2HG2 THR 38 2HG2 THR 38 -1.269 -0.318 3.292
183 3HG2 THR 38 3HG2 THR 38 -1.457 -1.657 4.425
184 H TRP 39 H TRP 39 2.133 0.267 6.158
185 HA TRP 39 HA TRP 39 3.930 0.120 3.829
186 1HB TRP 39 2HB TRP 39 4.442 -0.014 6.808
187 2HB TRP 39 1HB TRP 39 5.677 -0.331 5.594
188 HD1 TRP 39 HD TRP 39 4.008 2.480 7.437
189 HE1 TRP 39 1HE TRP 39 5.007 4.726 6.652
190 HE3 TRP 39 3HE TRP 39 6.607 0.820 3.371
191 HZ2 TRP 39 2HZ TRP 39 6.679 5.657 4.569
192 HZ3 TRP 39 3HZ TRP 39 7.875 2.442 2.034
193 HH2 TRP 39 HH TRP 39 7.917 4.809 2.625
194 H GLU 40 H GLU 40 5.194 -1.828 3.534
195 HA GLU 40 HA GLU 40 5.478 -4.069 3.295
196 1HB GLU 40 2HB GLU 40 5.734 -4.034 5.751
197 2HB GLU 40 1HB GLU 40 3.999 -4.252 5.927
198 1HG GLU 40 2HG GLU 40 4.145 -6.423 4.842
199 2HG GLU 40 1HG GLU 40 5.879 -6.203 4.613
200 H LYS 41 H LYS 41 4.469 -5.638 2.158
201 HA LYS 41 HA LYS 41 1.831 -5.185 1.256
202 1HB LYS 41 2HB LYS 41 3.615 -6.308 -0.076
203 2HB LYS 41 1HB LYS 41 3.467 -7.709 0.976
204 1HG LYS 41 2HG LYS 41 1.177 -8.045 0.264
205 2HG LYS 41 1HG LYS 41 1.252 -6.588 -0.730
206 1HD LYS 41 2HD LYS 41 1.554 -8.481 -2.162
207 2HD LYS 41 1HD LYS 41 3.105 -7.654 -2.020
208 1HE LYS 41 2HE LYS 41 3.820 -9.287 -0.344
209 2HE LYS 41 1HE LYS 41 2.268 -10.112 -0.483
210 1HZ LYS 41 1HZ LYS 41 2.776 -10.566 -2.812
211 2HZ LYS 41 2HZ LYS 41 3.948 -11.228 -1.788
212 3HZ LYS 41 3HZ LYS 41 4.281 -9.808 -2.646
213 HA PRO 42 HA PRO 42 -0.310 -7.358 4.525
214 1HB PRO 42 2HB PRO 42 -2.810 -7.147 3.560
215 2HB PRO 42 1HB PRO 42 -1.945 -5.747 4.207
216 1HG PRO 42 2HG PRO 42 -2.350 -6.574 1.358
217 2HG PRO 42 1HG PRO 42 -2.477 -4.960 2.082
218 1HD PRO 42 2HD PRO 42 -0.275 -5.831 0.722
219 2HD PRO 42 1HD PRO 42 -0.209 -4.617 2.014
220 HA PRO 5 HA PRO 5 -1.445 7.973 -7.417
221 1HB PRO 5 2HB PRO 5 0.584 9.603 -6.173
222 2HB PRO 5 1HB PRO 5 0.733 8.545 -7.577
223 1HG PRO 5 2HG PRO 5 0.919 11.277 -7.694
224 2HG PRO 5 1HG PRO 5 0.428 10.255 -9.055
225 1HD PRO 5 2HD PRO 5 -1.266 11.857 -7.179
226 2HD PRO 5 1HD PRO 5 -1.435 11.622 -8.933
227 HA PRO 6 HA PRO 6 -2.880 8.142 -3.204
228 1HB PRO 6 2HB PRO 6 -1.363 5.726 -2.627
229 2HB PRO 6 1HB PRO 6 -3.109 5.931 -2.781
230 1HG PRO 6 2HG PRO 6 -1.645 4.542 -4.577
231 2HG PRO 6 1HG PRO 6 -3.106 5.442 -5.022
232 1HD PRO 6 2HD PRO 6 -0.227 6.248 -5.330
233 2HD PRO 6 1HD PRO 6 -1.570 6.409 -6.486
234 HA PRO 7 HA PRO 7 0.490 9.854 -0.900
235 1HB PRO 7 2HB PRO 7 -0.952 9.543 1.582
236 2HB PRO 7 1HB PRO 7 -0.718 11.006 0.625
237 1HG PRO 7 2HG PRO 7 -3.137 9.764 0.952
238 2HG PRO 7 1HG PRO 7 -2.724 10.780 -0.440
239 1HD PRO 7 2HD PRO 7 -2.751 7.791 -0.210
240 2HD PRO 7 1HD PRO 7 -3.269 8.830 -1.560
241 H LEU 8 H LEU 8 2.183 9.286 0.439
242 HA LEU 8 HA LEU 8 2.522 6.471 0.929
243 1HB LEU 8 2HB LEU 8 4.363 7.870 0.126
244 2HB LEU 8 1HB LEU 8 4.267 8.859 1.574
245 HG LEU 8 HG LEU 8 4.812 6.666 2.837
246 1HD1 LEU 8 1HD1 LEU 8 5.857 4.948 1.623
247 2HD1 LEU 8 2HD1 LEU 8 5.948 5.924 0.160
248 3HD1 LEU 8 3HD1 LEU 8 4.390 5.325 0.726
249 1HD2 LEU 8 1HD2 LEU 8 7.188 7.054 2.565
250 2HD2 LEU 8 2HD2 LEU 8 6.331 8.595 2.594
251 3HD2 LEU 8 3HD2 LEU 8 6.902 7.932 1.063
252 HA PRO 9 HA PRO 9 1.221 6.568 5.192
253 1HB PRO 9 2HB PRO 9 2.761 4.201 5.791
254 2HB PRO 9 1HB PRO 9 1.020 4.344 5.551
255 1HG PRO 9 2HG PRO 9 2.699 3.030 3.831
256 2HG PRO 9 1HG PRO 9 1.149 3.743 3.354
257 1HD PRO 9 2HD PRO 9 3.918 4.807 2.993
258 2HD PRO 9 1HD PRO 9 2.529 4.874 1.890
259 HA PRO 10 HA PRO 10 4.725 8.199 7.390
260 1HB PRO 10 2HB PRO 10 3.612 8.648 9.782
261 2HB PRO 10 1HB PRO 10 3.118 9.567 8.355
262 1HG PRO 10 2HG PRO 10 1.759 7.265 9.693
263 2HG PRO 10 1HG PRO 10 1.051 8.732 8.996
264 1HD PRO 10 2HD PRO 10 1.160 6.268 7.734
265 2HD PRO 10 1HD PRO 10 0.962 7.825 6.907
Start of MODEL 12
1 H SER 15 H SER 15 -7.943 -8.074 0.851
2 HA SER 15 HA SER 15 -7.285 -7.422 -1.225
3 1HB SER 15 2HB SER 15 -9.138 -8.999 -1.842
4 2HB SER 15 1HB SER 15 -10.219 -7.608 -1.940
5 HG SER 15 HG SER 15 -7.890 -7.313 -3.362
6 H MET 16 H MET 16 -8.203 -5.835 -3.163
7 HA MET 16 HA MET 16 -8.594 -3.703 -3.824
8 1HB MET 16 2HB MET 16 -10.136 -3.843 -1.304
9 2HB MET 16 1HB MET 16 -9.730 -2.231 -1.869
10 1HG MET 16 2HG MET 16 -11.920 -2.951 -2.657
11 2HG MET 16 1HG MET 16 -10.804 -2.671 -3.992
12 1HE MET 16 1HE MET 16 -12.328 -3.992 -5.693
13 2HE MET 16 2HE MET 16 -13.508 -4.214 -4.401
14 3HE MET 16 3HE MET 16 -12.992 -5.594 -5.370
15 H TRP 17 H TRP 17 -6.134 -4.012 -3.425
16 HA TRP 17 HA TRP 17 -5.230 -1.702 -1.836
17 1HB TRP 17 2HB TRP 17 -3.696 -4.295 -2.138
18 2HB TRP 17 1HB TRP 17 -3.210 -2.890 -1.199
19 HD1 TRP 17 HD TRP 17 -5.875 -5.679 -1.174
20 HE1 TRP 17 1HE TRP 17 -6.600 -6.074 1.261
21 HE3 TRP 17 3HE TRP 17 -3.253 -1.909 1.077
22 HZ2 TRP 17 2HZ TRP 17 -6.122 -4.942 3.801
23 HZ3 TRP 17 3HZ TRP 17 -3.441 -1.640 3.515
24 HH2 TRP 17 HH TRP 17 -4.846 -3.124 4.846
25 H THR 18 H THR 18 -3.586 -0.475 -2.759
26 HA THR 18 HA THR 18 -2.976 -1.123 -5.566
27 HB THR 18 HB THR 18 -2.454 1.263 -5.864
28 HG1 THR 18 1HG THR 18 -2.043 1.430 -3.424
29 1HG2 THR 18 1HG2 THR 18 -4.748 0.435 -6.259
30 2HG2 THR 18 2HG2 THR 18 -4.719 2.120 -5.739
31 3HG2 THR 18 3HG2 THR 18 -5.164 0.851 -4.596
32 H GLU 19 H GLU 19 -0.854 -1.042 -6.315
33 HA GLU 19 HA GLU 19 1.168 -1.205 -4.193
34 1HB GLU 19 2HB GLU 19 0.970 -3.221 -5.519
35 2HB GLU 19 1HB GLU 19 1.164 -2.306 -7.007
36 1HG GLU 19 2HG GLU 19 3.446 -1.708 -6.320
37 2HG GLU 19 1HG GLU 19 3.246 -2.686 -4.865
38 H HIS 20 H HIS 20 2.675 0.280 -4.005
39 HA HIS 20 HA HIS 20 3.558 1.808 -6.328
40 1HB HIS 20 2HB HIS 20 2.280 2.982 -3.875
41 2HB HIS 20 1HB HIS 20 3.474 3.900 -4.784
42 HD1 HIS 20 1HD HIS 20 2.835 4.257 -7.406
43 HD2 HIS 20 2HD HIS 20 -0.252 3.164 -4.848
44 HE1 HIS 20 1HE HIS 20 0.714 4.845 -8.623
45 HE2 HIS 20 2HE HIS 20 -1.141 4.204 -7.043
46 H LYS 21 H LYS 21 5.578 3.021 -5.869
47 HA LYS 21 HA LYS 21 7.147 1.598 -3.824
48 1HB LYS 21 2HB LYS 21 7.755 1.190 -6.217
49 2HB LYS 21 1HB LYS 21 8.184 2.890 -6.347
50 1HG LYS 21 2HG LYS 21 9.923 2.615 -4.689
51 2HG LYS 21 1HG LYS 21 9.455 0.931 -4.445
52 1HD LYS 21 2HD LYS 21 9.975 0.509 -6.845
53 2HD LYS 21 1HD LYS 21 10.589 2.161 -6.956
54 1HE LYS 21 2HE LYS 21 11.632 0.012 -5.113
55 2HE LYS 21 1HE LYS 21 12.392 0.533 -6.616
56 1HZ LYS 21 1HZ LYS 21 11.940 2.235 -4.224
57 2HZ LYS 21 2HZ LYS 21 12.666 2.739 -5.666
58 3HZ LYS 21 3HZ LYS 21 13.424 1.574 -4.702
59 H SER 22 H SER 22 7.261 2.885 -2.079
60 HA SER 22 HA SER 22 7.141 5.596 -1.866
61 1HB SER 22 2HB SER 22 7.188 4.097 0.075
62 2HB SER 22 1HB SER 22 8.882 3.740 -0.232
63 HG SER 22 HG SER 22 9.192 6.094 -0.001
64 HA PRO 23 HA PRO 23 10.636 7.304 -3.952
65 1HB PRO 23 2HB PRO 23 10.593 9.398 -1.855
66 2HB PRO 23 1HB PRO 23 10.436 9.557 -3.608
67 1HG PRO 23 2HG PRO 23 8.314 9.866 -2.035
68 2HG PRO 23 1HG PRO 23 8.174 9.012 -3.585
69 1HD PRO 23 2HD PRO 23 8.383 7.881 -0.813
70 2HD PRO 23 1HD PRO 23 7.305 7.396 -2.138
71 H ASP 24 H ASP 24 10.718 6.517 -0.588
72 HA ASP 24 HA ASP 24 13.539 7.060 -0.276
73 1HB ASP 24 2HB ASP 24 11.643 5.539 1.529
74 2HB ASP 24 1HB ASP 24 13.267 6.071 1.953
75 H GLY 25 H GLY 25 12.275 5.037 -2.241
76 1HA GLY 25 2HA GLY 25 13.137 3.155 -3.268
77 2HA GLY 25 1HA GLY 25 14.395 3.112 -2.039
78 H ARG 26 H ARG 26 10.944 3.143 -1.373
79 HA ARG 26 HA ARG 26 11.180 0.362 -0.407
80 1HB ARG 26 2HB ARG 26 9.146 1.979 0.936
81 2HB ARG 26 1HB ARG 26 10.345 0.891 1.618
82 1HG ARG 26 2HG ARG 26 11.237 3.541 0.605
83 2HG ARG 26 1HG ARG 26 10.370 3.462 2.135
84 1HD ARG 26 2HD ARG 26 12.850 3.367 2.360
85 2HD ARG 26 1HD ARG 26 12.003 1.996 3.074
86 HE ARG 26 HE ARG 26 12.616 1.045 0.656
87 1HH1 ARG 26 1HH1 ARG 26 14.540 2.762 2.998
88 2HH1 ARG 26 2HH1 ARG 26 16.023 1.998 2.530
89 1HH2 ARG 26 1HH2 ARG 26 14.563 0.032 0.035
90 2HH2 ARG 26 2HH2 ARG 26 16.036 0.447 0.847
91 H THR 27 H THR 27 9.031 -0.729 -0.178
92 HA THR 27 HA THR 27 7.268 0.055 -2.406
93 HB THR 27 HB THR 27 7.640 -2.702 -1.210
94 HG1 THR 27 1HG THR 27 8.756 -3.120 -3.170
95 1HG2 THR 27 1HG2 THR 27 5.409 -2.353 -2.157
96 2HG2 THR 27 2HG2 THR 27 6.350 -3.467 -3.149
97 3HG2 THR 27 3HG2 THR 27 6.130 -1.794 -3.666
98 H TYR 28 H TYR 28 5.565 1.133 -1.584
99 HA TYR 28 HA TYR 28 4.339 0.084 0.880
100 1HB TYR 28 2HB TYR 28 3.705 2.237 1.500
101 2HB TYR 28 1HB TYR 28 5.292 2.491 0.783
102 HD1 TYR 28 1HD TYR 28 1.706 3.085 0.448
103 HD2 TYR 28 2HD TYR 28 5.509 3.612 -1.388
104 HE1 TYR 28 1HE TYR 28 0.737 4.765 -1.062
105 HE2 TYR 28 2HE TYR 28 4.547 5.295 -2.904
106 HH TYR 28 HH TYR 28 1.503 6.688 -2.417
107 H TYR 29 H TYR 29 1.960 0.379 1.045
108 HA TYR 29 HA TYR 29 0.650 0.156 -1.582
109 1HB TYR 29 2HB TYR 29 0.181 -1.596 0.838
110 2HB TYR 29 1HB TYR 29 -0.824 -1.604 -0.608
111 HD1 TYR 29 1HD TYR 29 -0.173 -2.815 -2.541
112 HD2 TYR 29 2HD TYR 29 2.575 -2.317 0.670
113 HE1 TYR 29 1HE TYR 29 1.327 -4.465 -3.577
114 HE2 TYR 29 2HE TYR 29 4.082 -3.965 -0.359
115 HH TYR 29 HH TYR 29 3.981 -5.824 -1.932
116 H TYR 30 H TYR 30 -1.556 0.772 -1.657
117 HA TYR 30 HA TYR 30 -2.455 2.386 0.643
118 1HB TYR 30 2HB TYR 30 -1.737 3.951 -1.014
119 2HB TYR 30 1HB TYR 30 -2.543 3.065 -2.298
120 HD1 TYR 30 1HD TYR 30 -5.037 3.120 -2.452
121 HD2 TYR 30 2HD TYR 30 -2.894 5.583 0.278
122 HE1 TYR 30 1HE TYR 30 -7.018 4.556 -2.200
123 HE2 TYR 30 2HE TYR 30 -4.870 7.019 0.540
124 HH TYR 30 HH TYR 30 -6.909 7.600 -0.752
125 H ASN 31 H ASN 31 -4.223 1.510 1.488
126 HA ASN 31 HA ASN 31 -5.867 -0.340 0.059
127 1HB ASN 31 2HB ASN 31 -5.446 -0.373 2.552
128 2HB ASN 31 1HB ASN 31 -6.507 1.026 2.681
129 1HD2 ASN 31 1HD2 ASN 31 -6.773 -1.659 3.796
130 2HD2 ASN 31 2HD2 ASN 31 -8.284 -2.266 3.222
131 H THR 32 H THR 32 -7.603 0.061 -1.172
132 HA THR 32 HA THR 32 -8.458 2.815 -1.494
133 HB THR 32 HB THR 32 -8.154 1.633 -3.538
134 HG1 THR 32 1HG THR 32 -9.868 2.772 -4.065
135 1HG2 THR 32 1HG2 THR 32 -9.541 -0.379 -4.080
136 2HG2 THR 32 2HG2 THR 32 -10.023 -0.433 -2.383
137 3HG2 THR 32 3HG2 THR 32 -8.330 -0.648 -2.827
138 H GLU 33 H GLU 33 -9.752 -0.193 -0.205
139 HA GLU 33 HA GLU 33 -12.441 0.694 0.019
140 1HB GLU 33 2HB GLU 33 -10.878 -1.511 1.340
141 2HB GLU 33 1HB GLU 33 -12.542 -1.172 1.796
142 1HG GLU 33 2HG GLU 33 -11.621 -1.837 -0.986
143 2HG GLU 33 1HG GLU 33 -12.337 -2.984 0.145
144 H THR 34 H THR 34 -9.988 0.221 2.565
145 HA THR 34 HA THR 34 -11.445 1.758 4.477
146 HB THR 34 HB THR 34 -8.524 0.966 4.536
147 HG1 THR 34 1HG THR 34 -10.385 -0.427 6.049
148 1HG2 THR 34 1HG2 THR 34 -10.416 1.745 6.759
149 2HG2 THR 34 2HG2 THR 34 -9.079 2.719 6.149
150 3HG2 THR 34 3HG2 THR 34 -8.754 1.192 6.970
151 H LYS 35 H LYS 35 -9.271 2.493 1.944
152 HA LYS 35 HA LYS 35 -8.386 4.429 1.151
153 1HB LYS 35 2HB LYS 35 -10.284 5.804 3.061
154 2HB LYS 35 1HB LYS 35 -9.525 6.511 1.642
155 1HG LYS 35 2HG LYS 35 -10.796 5.078 0.185
156 2HG LYS 35 1HG LYS 35 -11.483 4.226 1.571
157 1HD LYS 35 2HD LYS 35 -12.512 6.352 2.315
158 2HD LYS 35 1HD LYS 35 -11.896 7.128 0.854
159 1HE LYS 35 2HE LYS 35 -14.243 6.475 0.610
160 2HE LYS 35 1HE LYS 35 -13.204 5.616 -0.526
161 1HZ LYS 35 1HZ LYS 35 -13.257 3.690 0.915
162 2HZ LYS 35 2HZ LYS 35 -14.833 4.149 0.507
163 3HZ LYS 35 3HZ LYS 35 -14.218 4.513 2.039
164 H GLN 36 H GLN 36 -6.487 3.602 2.395
165 HA GLN 36 HA GLN 36 -5.416 5.760 3.967
166 1HB GLN 36 2HB GLN 36 -5.281 4.808 6.038
167 2HB GLN 36 1HB GLN 36 -6.778 4.075 5.491
168 1HG GLN 36 2HG GLN 36 -5.816 2.175 6.171
169 2HG GLN 36 1HG GLN 36 -4.987 2.254 4.622
170 1HE2 GLN 36 1HE2 GLN 36 -4.297 4.487 7.156
171 2HE2 GLN 36 2HE2 GLN 36 -2.728 3.884 7.552
172 H SER 37 H SER 37 -3.126 5.332 4.603
173 HA SER 37 HA SER 37 -1.826 3.752 2.492
174 1HB SER 37 2HB SER 37 -0.546 5.895 4.192
175 2HB SER 37 1HB SER 37 0.030 5.236 2.660
176 HG SER 37 HG SER 37 -1.577 6.301 1.595
177 H THR 38 H THR 38 -0.565 2.049 2.993
178 HA THR 38 HA THR 38 0.230 1.679 5.802
179 HB THR 38 HB THR 38 -1.749 0.286 5.337
180 HG1 THR 38 1HG THR 38 -0.409 -1.827 5.685
181 1HG2 THR 38 1HG2 THR 38 -1.523 -1.632 3.788
182 2HG2 THR 38 2HG2 THR 38 0.018 -0.976 3.238
183 3HG2 THR 38 3HG2 THR 38 -1.473 -0.076 2.960
184 H TRP 39 H TRP 39 2.018 0.240 6.143
185 HA TRP 39 HA TRP 39 3.929 0.246 3.897
186 1HB TRP 39 2HB TRP 39 4.284 0.210 6.893
187 2HB TRP 39 1HB TRP 39 5.597 -0.201 5.798
188 HD1 TRP 39 HD TRP 39 3.948 2.719 7.416
189 HE1 TRP 39 1HE TRP 39 5.000 4.908 6.548
190 HE3 TRP 39 3HE TRP 39 6.595 0.829 3.479
191 HZ2 TRP 39 2HZ TRP 39 6.725 5.715 4.460
192 HZ3 TRP 39 3HZ TRP 39 7.918 2.371 2.096
193 HH2 TRP 39 HH TRP 39 7.985 4.760 2.580
194 H GLU 40 H GLU 40 5.184 -1.575 3.457
195 HA GLU 40 HA GLU 40 5.599 -3.778 3.128
196 1HB GLU 40 2HB GLU 40 6.064 -3.770 5.550
197 2HB GLU 40 1HB GLU 40 4.370 -4.114 5.871
198 1HG GLU 40 2HG GLU 40 4.572 -6.252 4.729
199 2HG GLU 40 1HG GLU 40 6.261 -5.906 4.362
200 H LYS 41 H LYS 41 4.631 -5.639 2.354
201 HA LYS 41 HA LYS 41 2.187 -5.469 1.143
202 1HB LYS 41 2HB LYS 41 3.615 -7.953 2.102
203 2HB LYS 41 1HB LYS 41 2.229 -7.976 1.021
204 1HG LYS 41 2HG LYS 41 3.981 -8.142 -0.452
205 2HG LYS 41 1HG LYS 41 3.680 -6.404 -0.450
206 1HD LYS 41 2HD LYS 41 6.056 -6.805 -0.311
207 2HD LYS 41 1HD LYS 41 5.489 -6.132 1.219
208 1HE LYS 41 2HE LYS 41 7.066 -7.977 1.561
209 2HE LYS 41 1HE LYS 41 5.471 -8.350 2.212
210 1HZ LYS 41 1HZ LYS 41 5.013 -9.643 0.212
211 2HZ LYS 41 2HZ LYS 41 6.375 -10.234 1.020
212 3HZ LYS 41 3HZ LYS 41 6.561 -9.306 -0.381
213 HA PRO 42 HA PRO 42 -0.748 -6.054 4.424
214 1HB PRO 42 2HB PRO 42 -2.979 -6.426 2.993
215 2HB PRO 42 1HB PRO 42 -2.147 -4.867 3.009
216 1HG PRO 42 2HG PRO 42 -2.079 -7.027 0.940
217 2HG PRO 42 1HG PRO 42 -2.184 -5.271 0.722
218 1HD PRO 42 2HD PRO 42 0.141 -6.722 0.493
219 2HD PRO 42 1HD PRO 42 0.080 -4.996 0.900
220 HA PRO 5 HA PRO 5 -1.640 8.350 -7.365
221 1HB PRO 5 2HB PRO 5 0.518 9.798 -6.098
222 2HB PRO 5 1HB PRO 5 0.575 8.772 -7.531
223 1HG PRO 5 2HG PRO 5 0.951 11.474 -7.596
224 2HG PRO 5 1HG PRO 5 0.317 10.539 -8.961
225 1HD PRO 5 2HD PRO 5 -1.162 12.185 -6.941
226 2HD PRO 5 1HD PRO 5 -1.410 12.065 -8.697
227 HA PRO 6 HA PRO 6 -2.980 8.369 -3.129
228 1HB PRO 6 2HB PRO 6 -1.515 5.892 -2.675
229 2HB PRO 6 1HB PRO 6 -3.257 6.145 -2.790
230 1HG PRO 6 2HG PRO 6 -1.852 4.801 -4.672
231 2HG PRO 6 1HG PRO 6 -3.297 5.755 -5.056
232 1HD PRO 6 2HD PRO 6 -0.406 6.498 -5.372
233 2HD PRO 6 1HD PRO 6 -1.761 6.746 -6.498
234 HA PRO 7 HA PRO 7 0.472 9.911 -0.837
235 1HB PRO 7 2HB PRO 7 -0.580 10.037 1.624
236 2HB PRO 7 1HB PRO 7 -1.147 11.081 0.315
237 1HG PRO 7 2HG PRO 7 -2.377 8.595 1.425
238 2HG PRO 7 1HG PRO 7 -3.158 10.099 0.906
239 1HD PRO 7 2HD PRO 7 -3.005 7.796 -0.611
240 2HD PRO 7 1HD PRO 7 -3.251 9.427 -1.272
241 H LEU 8 H LEU 8 2.156 9.301 0.457
242 HA LEU 8 HA LEU 8 2.466 6.487 0.946
243 1HB LEU 8 2HB LEU 8 4.336 7.745 0.118
244 2HB LEU 8 1HB LEU 8 4.209 8.905 1.427
245 HG LEU 8 HG LEU 8 4.716 6.781 2.916
246 1HD1 LEU 8 1HD1 LEU 8 6.535 5.559 1.416
247 2HD1 LEU 8 2HD1 LEU 8 5.380 5.967 0.151
248 3HD1 LEU 8 3HD1 LEU 8 4.873 4.994 1.532
249 1HD2 LEU 8 1HD2 LEU 8 6.815 8.210 1.286
250 2HD2 LEU 8 2HD2 LEU 8 7.086 7.346 2.800
251 3HD2 LEU 8 3HD2 LEU 8 6.089 8.800 2.780
252 HA PRO 9 HA PRO 9 1.224 6.623 5.224
253 1HB PRO 9 2HB PRO 9 2.719 4.240 5.831
254 2HB PRO 9 1HB PRO 9 0.984 4.403 5.573
255 1HG PRO 9 2HG PRO 9 2.687 3.069 3.878
256 2HG PRO 9 1HG PRO 9 1.128 3.758 3.394
257 1HD PRO 9 2HD PRO 9 3.885 4.832 2.998
258 2HD PRO 9 1HD PRO 9 2.480 4.896 1.915
259 HA PRO 10 HA PRO 10 4.688 8.331 7.416
260 1HB PRO 10 2HB PRO 10 3.285 7.988 9.938
261 2HB PRO 10 1HB PRO 10 3.605 9.474 9.042
262 1HG PRO 10 2HG PRO 10 1.115 8.408 9.332
263 2HG PRO 10 1HG PRO 10 1.600 9.394 7.941
264 1HD PRO 10 2HD PRO 10 1.367 6.416 8.164
265 2HD PRO 10 1HD PRO 10 0.908 7.487 6.823
Start of MODEL 13
1 H SER 15 H SER 15 -9.756 -7.015 0.963
2 HA SER 15 HA SER 15 -7.391 -7.286 -0.755
3 1HB SER 15 2HB SER 15 -10.268 -7.631 -1.634
4 2HB SER 15 1HB SER 15 -8.900 -7.486 -2.736
5 HG SER 15 HG SER 15 -9.689 -9.613 -1.153
6 H MET 16 H MET 16 -8.398 -5.807 -2.903
7 HA MET 16 HA MET 16 -8.692 -3.693 -3.661
8 1HB MET 16 2HB MET 16 -10.136 -3.553 -1.045
9 2HB MET 16 1HB MET 16 -9.846 -2.073 -1.941
10 1HG MET 16 2HG MET 16 -12.046 -3.021 -2.412
11 2HG MET 16 1HG MET 16 -11.033 -2.953 -3.853
12 1HE MET 16 1HE MET 16 -12.384 -4.722 -5.285
13 2HE MET 16 2HE MET 16 -13.574 -4.588 -3.991
14 3HE MET 16 3HE MET 16 -13.077 -6.178 -4.568
15 H TRP 17 H TRP 17 -6.276 -3.882 -3.422
16 HA TRP 17 HA TRP 17 -5.299 -1.642 -1.778
17 1HB TRP 17 2HB TRP 17 -3.764 -4.205 -2.263
18 2HB TRP 17 1HB TRP 17 -3.254 -2.841 -1.275
19 HD1 TRP 17 HD TRP 17 -5.818 -5.713 -1.275
20 HE1 TRP 17 1HE TRP 17 -6.481 -6.199 1.164
21 HE3 TRP 17 3HE TRP 17 -3.324 -1.891 1.024
22 HZ2 TRP 17 2HZ TRP 17 -6.015 -5.111 3.717
23 HZ3 TRP 17 3HZ TRP 17 -3.484 -1.688 3.472
24 HH2 TRP 17 HH TRP 17 -4.802 -3.267 4.788
25 H THR 18 H THR 18 -3.433 -0.561 -2.630
26 HA THR 18 HA THR 18 -3.015 -1.018 -5.514
27 HB THR 18 HB THR 18 -2.482 1.385 -5.719
28 HG1 THR 18 1HG THR 18 -2.444 2.663 -4.005
29 1HG2 THR 18 1HG2 THR 18 -4.769 0.577 -6.156
30 2HG2 THR 18 2HG2 THR 18 -4.757 2.227 -5.535
31 3HG2 THR 18 3HG2 THR 18 -5.188 0.887 -4.471
32 H GLU 19 H GLU 19 -0.913 -0.970 -6.298
33 HA GLU 19 HA GLU 19 1.158 -1.173 -4.226
34 1HB GLU 19 2HB GLU 19 0.832 -3.161 -5.628
35 2HB GLU 19 1HB GLU 19 1.157 -2.203 -7.067
36 1HG GLU 19 2HG GLU 19 3.427 -1.788 -6.291
37 2HG GLU 19 1HG GLU 19 3.106 -2.727 -4.833
38 H HIS 20 H HIS 20 2.699 0.287 -4.069
39 HA HIS 20 HA HIS 20 3.575 1.799 -6.395
40 1HB HIS 20 2HB HIS 20 2.378 3.061 -3.933
41 2HB HIS 20 1HB HIS 20 3.453 3.940 -5.015
42 HD1 HIS 20 1HD HIS 20 2.558 4.395 -7.447
43 HD2 HIS 20 2HD HIS 20 -0.226 2.783 -4.816
44 HE1 HIS 20 1HE HIS 20 0.322 4.736 -8.544
45 HE2 HIS 20 2HE HIS 20 -1.343 3.708 -6.957
46 H LYS 21 H LYS 21 5.532 3.177 -5.809
47 HA LYS 21 HA LYS 21 7.142 1.694 -3.836
48 1HB LYS 21 2HB LYS 21 7.884 1.301 -6.116
49 2HB LYS 21 1HB LYS 21 8.005 3.030 -6.403
50 1HG LYS 21 2HG LYS 21 9.752 3.135 -4.629
51 2HG LYS 21 1HG LYS 21 9.695 1.374 -4.545
52 1HD LYS 21 2HD LYS 21 11.449 1.712 -6.003
53 2HD LYS 21 1HD LYS 21 10.098 1.519 -7.119
54 1HE LYS 21 2HE LYS 21 11.233 4.147 -6.168
55 2HE LYS 21 1HE LYS 21 11.542 3.407 -7.736
56 1HZ LYS 21 1HZ LYS 21 9.144 3.549 -8.190
57 2HZ LYS 21 2HZ LYS 21 9.848 5.068 -7.952
58 3HZ LYS 21 3HZ LYS 21 8.920 4.364 -6.724
59 H SER 22 H SER 22 7.295 2.888 -2.038
60 HA SER 22 HA SER 22 7.092 5.591 -1.703
61 1HB SER 22 2HB SER 22 7.195 3.982 0.160
62 2HB SER 22 1HB SER 22 8.903 3.720 -0.162
63 HG SER 22 HG SER 22 7.803 5.596 1.341
64 HA PRO 23 HA PRO 23 10.528 7.449 -3.758
65 1HB PRO 23 2HB PRO 23 10.465 9.455 -1.575
66 2HB PRO 23 1HB PRO 23 10.292 9.682 -3.319
67 1HG PRO 23 2HG PRO 23 8.178 9.887 -1.719
68 2HG PRO 23 1HG PRO 23 8.040 9.095 -3.302
69 1HD PRO 23 2HD PRO 23 8.288 7.857 -0.581
70 2HD PRO 23 1HD PRO 23 7.214 7.404 -1.920
71 H ASP 24 H ASP 24 10.658 6.566 -0.415
72 HA ASP 24 HA ASP 24 13.464 7.145 -0.102
73 1HB ASP 24 2HB ASP 24 11.558 5.548 1.624
74 2HB ASP 24 1HB ASP 24 13.208 5.972 2.072
75 H GLY 25 H GLY 25 12.095 5.084 -2.059
76 1HA GLY 25 2HA GLY 25 13.058 3.313 -3.215
77 2HA GLY 25 1HA GLY 25 14.322 3.240 -1.995
78 H ARG 26 H ARG 26 10.867 3.151 -1.329
79 HA ARG 26 HA ARG 26 11.180 0.337 -0.492
80 1HB ARG 26 2HB ARG 26 9.212 2.144 0.855
81 2HB ARG 26 1HB ARG 26 9.998 0.698 1.470
82 1HG ARG 26 2HG ARG 26 11.343 3.351 1.031
83 2HG ARG 26 1HG ARG 26 10.767 2.741 2.581
84 1HD ARG 26 2HD ARG 26 12.305 0.857 2.429
85 2HD ARG 26 1HD ARG 26 12.861 1.421 0.856
86 HE ARG 26 HE ARG 26 13.299 3.527 2.542
87 1HH1 ARG 26 1HH1 ARG 26 14.252 0.176 2.477
88 2HH1 ARG 26 2HH1 ARG 26 15.755 0.454 3.290
89 1HH2 ARG 26 1HH2 ARG 26 15.278 3.901 3.616
90 2HH2 ARG 26 2HH2 ARG 26 16.337 2.570 3.939
91 H THR 27 H THR 27 9.072 -0.826 -0.325
92 HA THR 27 HA THR 27 7.297 -0.026 -2.538
93 HB THR 27 HB THR 27 7.676 -2.794 -1.367
94 HG1 THR 27 1HG THR 27 9.454 -2.662 -2.537
95 1HG2 THR 27 1HG2 THR 27 6.432 -3.551 -3.325
96 2HG2 THR 27 2HG2 THR 27 6.253 -1.884 -3.873
97 3HG2 THR 27 3HG2 THR 27 5.468 -2.412 -2.385
98 H TYR 28 H TYR 28 5.616 1.055 -1.667
99 HA TYR 28 HA TYR 28 4.413 -0.034 0.790
100 1HB TYR 28 2HB TYR 28 3.779 2.111 1.434
101 2HB TYR 28 1HB TYR 28 5.356 2.378 0.699
102 HD1 TYR 28 1HD TYR 28 1.803 3.085 0.516
103 HD2 TYR 28 2HD TYR 28 5.497 3.388 -1.575
104 HE1 TYR 28 1HE TYR 28 0.814 4.773 -0.971
105 HE2 TYR 28 2HE TYR 28 4.517 5.079 -3.068
106 HH TYR 28 HH TYR 28 1.552 6.612 -2.430
107 H TYR 29 H TYR 29 2.043 0.254 0.994
108 HA TYR 29 HA TYR 29 0.674 0.099 -1.604
109 1HB TYR 29 2HB TYR 29 0.297 -1.785 0.732
110 2HB TYR 29 1HB TYR 29 -0.734 -1.743 -0.695
111 HD1 TYR 29 1HD TYR 29 2.734 -2.386 0.452
112 HD2 TYR 29 2HD TYR 29 -0.119 -2.894 -2.663
113 HE1 TYR 29 1HE TYR 29 4.260 -3.943 -0.683
114 HE2 TYR 29 2HE TYR 29 1.399 -4.455 -3.806
115 HH TYR 29 HH TYR 29 3.799 -4.962 -3.889
116 H TYR 30 H TYR 30 -1.368 0.955 -1.688
117 HA TYR 30 HA TYR 30 -2.273 2.353 0.747
118 1HB TYR 30 2HB TYR 30 -1.596 3.965 -0.894
119 2HB TYR 30 1HB TYR 30 -2.491 3.140 -2.161
120 HD1 TYR 30 1HD TYR 30 -4.978 3.244 -2.178
121 HD2 TYR 30 2HD TYR 30 -2.654 5.564 0.529
122 HE1 TYR 30 1HE TYR 30 -6.914 4.707 -1.778
123 HE2 TYR 30 2HE TYR 30 -4.584 7.027 0.942
124 HH TYR 30 HH TYR 30 -7.742 6.244 -0.081
125 H ASN 31 H ASN 31 -4.074 1.569 1.598
126 HA ASN 31 HA ASN 31 -5.720 -0.314 0.218
127 1HB ASN 31 2HB ASN 31 -5.309 -0.361 2.683
128 2HB ASN 31 1HB ASN 31 -6.270 1.105 2.834
129 1HD2 ASN 31 1HD2 ASN 31 -6.325 -2.298 2.134
130 2HD2 ASN 31 2HD2 ASN 31 -8.030 -2.511 2.308
131 H THR 32 H THR 32 -7.444 0.067 -1.027
132 HA THR 32 HA THR 32 -8.347 2.823 -1.311
133 HB THR 32 HB THR 32 -7.899 1.741 -3.386
134 HG1 THR 32 1HG THR 32 -9.762 3.060 -3.402
135 1HG2 THR 32 1HG2 THR 32 -9.137 -0.284 -4.102
136 2HG2 THR 32 2HG2 THR 32 -9.802 -0.418 -2.474
137 3HG2 THR 32 3HG2 THR 32 -8.065 -0.581 -2.735
138 H GLU 33 H GLU 33 -9.288 0.119 0.449
139 HA GLU 33 HA GLU 33 -12.125 0.440 0.277
140 1HB GLU 33 2HB GLU 33 -10.792 -1.635 1.048
141 2HB GLU 33 1HB GLU 33 -10.680 -0.817 2.598
142 1HG GLU 33 2HG GLU 33 -13.263 -1.471 1.201
143 2HG GLU 33 1HG GLU 33 -12.522 -2.463 2.456
144 H THR 34 H THR 34 -9.937 0.982 3.040
145 HA THR 34 HA THR 34 -11.798 2.819 4.252
146 HB THR 34 HB THR 34 -8.976 2.089 5.070
147 HG1 THR 34 1HG THR 34 -11.225 0.684 5.176
148 1HG2 THR 34 1HG2 THR 34 -9.647 4.212 6.045
149 2HG2 THR 34 2HG2 THR 34 -9.633 2.959 7.282
150 3HG2 THR 34 3HG2 THR 34 -11.164 3.503 6.600
151 H LYS 35 H LYS 35 -9.187 2.964 2.079
152 HA LYS 35 HA LYS 35 -8.289 4.666 0.876
153 1HB LYS 35 2HB LYS 35 -10.088 6.521 2.447
154 2HB LYS 35 1HB LYS 35 -9.234 6.901 0.957
155 1HG LYS 35 2HG LYS 35 -10.584 5.297 -0.259
156 2HG LYS 35 1HG LYS 35 -11.410 4.838 1.233
157 1HD LYS 35 2HD LYS 35 -12.226 7.163 1.452
158 2HD LYS 35 1HD LYS 35 -11.467 7.549 -0.095
159 1HE LYS 35 2HE LYS 35 -12.876 5.907 -1.211
160 2HE LYS 35 1HE LYS 35 -13.611 5.470 0.331
161 1HZ LYS 35 1HZ LYS 35 -14.469 7.728 0.511
162 2HZ LYS 35 2HZ LYS 35 -15.019 6.984 -0.904
163 3HZ LYS 35 3HZ LYS 35 -13.778 8.131 -0.981
164 H GLN 36 H GLN 36 -6.606 3.811 2.446
165 HA GLN 36 HA GLN 36 -5.310 6.126 3.654
166 1HB GLN 36 2HB GLN 36 -4.760 4.766 5.692
167 2HB GLN 36 1HB GLN 36 -6.455 5.215 5.549
168 1HG GLN 36 2HG GLN 36 -6.909 2.972 4.590
169 2HG GLN 36 1HG GLN 36 -5.231 2.539 4.921
170 1HE2 GLN 36 1HE2 GLN 36 -5.204 4.106 7.412
171 2HE2 GLN 36 2HE2 GLN 36 -6.091 3.173 8.563
172 H SER 37 H SER 37 -3.024 5.597 4.259
173 HA SER 37 HA SER 37 -1.912 3.731 2.286
174 1HB SER 37 2HB SER 37 0.080 5.372 3.491
175 2HB SER 37 1HB SER 37 -0.436 5.327 1.813
176 HG SER 37 HG SER 37 -1.086 7.284 2.272
177 H THR 38 H THR 38 -0.421 2.176 2.858
178 HA THR 38 HA THR 38 0.264 1.899 5.684
179 HB THR 38 HB THR 38 -1.853 0.643 5.326
180 HG1 THR 38 1HG THR 38 0.004 -0.052 6.759
181 1HG2 THR 38 1HG2 THR 38 -1.568 -0.013 3.010
182 2HG2 THR 38 2HG2 THR 38 -1.746 -1.453 4.011
183 3HG2 THR 38 3HG2 THR 38 -0.152 -0.980 3.426
184 H TRP 39 H TRP 39 1.922 0.291 6.091
185 HA TRP 39 HA TRP 39 3.775 0.008 3.815
186 1HB TRP 39 2HB TRP 39 4.234 -0.047 6.808
187 2HB TRP 39 1HB TRP 39 5.474 -0.429 5.622
188 HD1 TRP 39 HD TRP 39 3.888 2.466 7.391
189 HE1 TRP 39 1HE TRP 39 4.969 4.663 6.577
190 HE3 TRP 39 3HE TRP 39 6.461 0.647 3.376
191 HZ2 TRP 39 2HZ TRP 39 6.691 5.500 4.494
192 HZ3 TRP 39 3HZ TRP 39 7.798 2.201 2.026
193 HH2 TRP 39 HH TRP 39 7.916 4.576 2.577
194 H GLU 40 H GLU 40 4.315 -1.968 3.075
195 HA GLU 40 HA GLU 40 4.427 -4.223 2.816
196 1HB GLU 40 2HB GLU 40 5.633 -4.166 4.957
197 2HB GLU 40 1HB GLU 40 4.107 -4.283 5.823
198 1HG GLU 40 2HG GLU 40 3.715 -6.484 4.841
199 2HG GLU 40 1HG GLU 40 5.242 -6.366 3.969
200 H LYS 41 H LYS 41 3.030 -5.767 2.204
201 HA LYS 41 HA LYS 41 0.250 -5.287 2.397
202 1HB LYS 41 2HB LYS 41 1.778 -7.717 1.451
203 2HB LYS 41 1HB LYS 41 0.041 -7.516 1.275
204 1HG LYS 41 2HG LYS 41 0.442 -5.492 -0.076
205 2HG LYS 41 1HG LYS 41 2.178 -5.790 0.046
206 1HD LYS 41 2HD LYS 41 1.417 -6.646 -2.060
207 2HD LYS 41 1HD LYS 41 1.801 -8.016 -1.015
208 1HE LYS 41 2HE LYS 41 -0.550 -8.326 -0.511
209 2HE LYS 41 1HE LYS 41 -0.967 -6.899 -1.458
210 1HZ LYS 41 1HZ LYS 41 -0.145 -8.015 -3.436
211 2HZ LYS 41 2HZ LYS 41 -1.355 -8.938 -2.698
212 3HZ LYS 41 3HZ LYS 41 0.268 -9.382 -2.528
213 HA PRO 42 HA PRO 42 -0.755 -7.558 6.072
214 1HB PRO 42 2HB PRO 42 -3.369 -7.927 5.745
215 2HB PRO 42 1HB PRO 42 -2.705 -6.293 5.880
216 1HG PRO 42 2HG PRO 42 -3.515 -7.807 3.426
217 2HG PRO 42 1HG PRO 42 -3.843 -6.120 3.859
218 1HD PRO 42 2HD PRO 42 -1.817 -6.914 2.180
219 2HD PRO 42 1HD PRO 42 -1.800 -5.407 3.118
220 HA PRO 5 HA PRO 5 -1.820 7.899 -7.290
221 1HB PRO 5 2HB PRO 5 0.196 9.728 -6.304
222 2HB PRO 5 1HB PRO 5 0.311 8.569 -7.630
223 1HG PRO 5 2HG PRO 5 0.325 11.279 -7.982
224 2HG PRO 5 1HG PRO 5 -0.233 10.129 -9.209
225 1HD PRO 5 2HD PRO 5 -1.831 11.803 -7.309
226 2HD PRO 5 1HD PRO 5 -2.147 11.418 -9.015
227 HA PRO 6 HA PRO 6 -2.936 8.159 -3.007
228 1HB PRO 6 2HB PRO 6 -1.349 5.802 -2.464
229 2HB PRO 6 1HB PRO 6 -3.101 5.955 -2.583
230 1HG PRO 6 2HG PRO 6 -1.602 4.589 -4.391
231 2HG PRO 6 1HG PRO 6 -3.135 5.377 -4.795
232 1HD PRO 6 2HD PRO 6 -0.334 6.350 -5.252
233 2HD PRO 6 1HD PRO 6 -1.739 6.410 -6.339
234 HA PRO 7 HA PRO 7 0.534 9.928 -0.877
235 1HB PRO 7 2HB PRO 7 -0.826 9.699 1.651
236 2HB PRO 7 1HB PRO 7 -0.645 11.131 0.635
237 1HG PRO 7 2HG PRO 7 -3.035 9.859 1.105
238 2HG PRO 7 1HG PRO 7 -2.699 10.866 -0.314
239 1HD PRO 7 2HD PRO 7 -2.683 7.882 -0.054
240 2HD PRO 7 1HD PRO 7 -3.259 8.901 -1.396
241 H LEU 8 H LEU 8 2.258 9.330 0.454
242 HA LEU 8 HA LEU 8 2.530 6.507 0.928
243 1HB LEU 8 2HB LEU 8 4.403 7.827 0.109
244 2HB LEU 8 1HB LEU 8 4.341 8.854 1.533
245 HG LEU 8 HG LEU 8 4.850 6.679 2.844
246 1HD1 LEU 8 1HD1 LEU 8 6.003 5.843 0.210
247 2HD1 LEU 8 2HD1 LEU 8 4.395 5.332 0.718
248 3HD1 LEU 8 3HD1 LEU 8 5.800 4.896 1.684
249 1HD2 LEU 8 1HD2 LEU 8 7.249 6.987 2.488
250 2HD2 LEU 8 2HD2 LEU 8 6.414 8.536 2.608
251 3HD2 LEU 8 3HD2 LEU 8 6.916 7.924 1.033
252 HA PRO 9 HA PRO 9 1.281 6.596 5.202
253 1HB PRO 9 2HB PRO 9 2.709 4.182 5.801
254 2HB PRO 9 1HB PRO 9 0.987 4.380 5.489
255 1HG PRO 9 2HG PRO 9 2.750 3.052 3.830
256 2HG PRO 9 1HG PRO 9 1.186 3.714 3.329
257 1HD PRO 9 2HD PRO 9 3.925 4.813 2.946
258 2HD PRO 9 1HD PRO 9 2.513 4.897 1.875
259 HA PRO 10 HA PRO 10 4.821 8.096 7.427
260 1HB PRO 10 2HB PRO 10 3.734 8.451 9.851
261 2HB PRO 10 1HB PRO 10 3.262 9.452 8.473
262 1HG PRO 10 2HG PRO 10 1.839 7.135 9.708
263 2HG PRO 10 1HG PRO 10 1.175 8.649 9.070
264 1HD PRO 10 2HD PRO 10 1.208 6.237 7.711
265 2HD PRO 10 1HD PRO 10 1.063 7.830 6.947
Start of MODEL 14
1 H SER 15 H SER 15 -9.339 -6.938 0.597
2 HA SER 15 HA SER 15 -7.796 -7.199 -1.804
3 1HB SER 15 2HB SER 15 -9.850 -8.543 -2.332
4 2HB SER 15 1HB SER 15 -10.807 -7.079 -2.106
5 HG SER 15 HG SER 15 -10.072 -6.293 -3.943
6 H MET 16 H MET 16 -8.874 -5.287 -3.380
7 HA MET 16 HA MET 16 -9.164 -3.052 -3.677
8 1HB MET 16 2HB MET 16 -9.922 -2.942 -0.753
9 2HB MET 16 1HB MET 16 -10.281 -1.738 -1.979
10 1HG MET 16 2HG MET 16 -11.742 -3.294 -3.123
11 2HG MET 16 1HG MET 16 -11.344 -4.551 -1.953
12 1HE MET 16 1HE MET 16 -13.708 -0.719 -0.941
13 2HE MET 16 2HE MET 16 -13.170 -1.140 -2.568
14 3HE MET 16 3HE MET 16 -11.987 -0.712 -1.330
15 H TRP 17 H TRP 17 -6.680 -3.587 -3.663
16 HA TRP 17 HA TRP 17 -5.416 -1.595 -1.904
17 1HB TRP 17 2HB TRP 17 -4.237 -4.281 -2.650
18 2HB TRP 17 1HB TRP 17 -3.426 -3.031 -1.718
19 HD1 TRP 17 HD TRP 17 -6.233 -5.632 -1.425
20 HE1 TRP 17 1HE TRP 17 -6.692 -6.054 1.070
21 HE3 TRP 17 3HE TRP 17 -3.245 -1.995 0.583
22 HZ2 TRP 17 2HZ TRP 17 -5.893 -4.998 3.557
23 HZ3 TRP 17 3HZ TRP 17 -3.150 -1.776 3.032
24 HH2 TRP 17 HH TRP 17 -4.446 -3.245 4.486
25 H THR 18 H THR 18 -3.312 -0.825 -2.741
26 HA THR 18 HA THR 18 -3.071 -1.038 -5.668
27 HB THR 18 HB THR 18 -2.841 1.248 -6.000
28 HG1 THR 18 1HG THR 18 -2.159 1.318 -3.259
29 1HG2 THR 18 1HG2 THR 18 -4.699 2.377 -4.860
30 2HG2 THR 18 2HG2 THR 18 -4.784 1.055 -3.695
31 3HG2 THR 18 3HG2 THR 18 -5.158 0.758 -5.392
32 H GLU 19 H GLU 19 -0.958 -0.943 -6.474
33 HA GLU 19 HA GLU 19 1.107 -1.348 -4.423
34 1HB GLU 19 2HB GLU 19 0.729 -3.221 -5.967
35 2HB GLU 19 1HB GLU 19 1.084 -2.174 -7.332
36 1HG GLU 19 2HG GLU 19 3.103 -2.560 -5.166
37 2HG GLU 19 1HG GLU 19 2.906 -3.770 -6.430
38 H HIS 20 H HIS 20 2.634 0.090 -4.136
39 HA HIS 20 HA HIS 20 3.607 1.728 -6.332
40 1HB HIS 20 2HB HIS 20 2.331 2.879 -3.850
41 2HB HIS 20 1HB HIS 20 3.416 3.802 -4.881
42 HD1 HIS 20 1HD HIS 20 2.567 4.166 -7.398
43 HD2 HIS 20 2HD HIS 20 -0.269 2.802 -4.686
44 HE1 HIS 20 1HE HIS 20 0.338 4.587 -8.487
45 HE2 HIS 20 2HE HIS 20 -1.363 3.716 -6.844
46 H LYS 21 H LYS 21 5.470 3.187 -5.439
47 HA LYS 21 HA LYS 21 6.926 1.698 -3.362
48 1HB LYS 21 2HB LYS 21 8.032 2.612 -6.016
49 2HB LYS 21 1HB LYS 21 9.002 1.966 -4.700
50 1HG LYS 21 2HG LYS 21 7.889 -0.163 -4.860
51 2HG LYS 21 1HG LYS 21 6.785 0.469 -6.083
52 1HD LYS 21 2HD LYS 21 9.746 0.562 -6.526
53 2HD LYS 21 1HD LYS 21 8.850 -0.930 -6.817
54 1HE LYS 21 2HE LYS 21 9.022 0.276 -8.884
55 2HE LYS 21 1HE LYS 21 7.347 0.333 -8.338
56 1HZ LYS 21 1HZ LYS 21 7.682 2.560 -7.544
57 2HZ LYS 21 2HZ LYS 21 8.162 2.481 -9.163
58 3HZ LYS 21 3HZ LYS 21 9.326 2.509 -7.937
59 H SER 22 H SER 22 7.419 2.984 -1.745
60 HA SER 22 HA SER 22 7.242 5.729 -1.646
61 1HB SER 22 2HB SER 22 7.438 4.160 0.312
62 2HB SER 22 1HB SER 22 9.164 4.062 -0.021
63 HG SER 22 HG SER 22 9.300 5.777 1.172
64 HA PRO 23 HA PRO 23 10.688 7.302 -3.923
65 1HB PRO 23 2HB PRO 23 10.767 9.493 -1.939
66 2HB PRO 23 1HB PRO 23 10.503 9.565 -3.684
67 1HG PRO 23 2HG PRO 23 8.497 9.980 -1.967
68 2HG PRO 23 1HG PRO 23 8.238 9.118 -3.495
69 1HD PRO 23 2HD PRO 23 8.535 8.017 -0.723
70 2HD PRO 23 1HD PRO 23 7.417 7.530 -2.012
71 H ASP 24 H ASP 24 10.845 6.690 -0.524
72 HA ASP 24 HA ASP 24 13.653 7.232 -0.256
73 1HB ASP 24 2HB ASP 24 11.812 5.658 1.560
74 2HB ASP 24 1HB ASP 24 13.419 6.248 1.973
75 H GLY 25 H GLY 25 12.152 5.002 -2.013
76 1HA GLY 25 2HA GLY 25 13.178 3.216 -3.126
77 2HA GLY 25 1HA GLY 25 14.409 3.170 -1.873
78 H ARG 26 H ARG 26 10.959 3.191 -1.209
79 HA ARG 26 HA ARG 26 11.202 0.392 -0.296
80 1HB ARG 26 2HB ARG 26 9.097 1.939 1.008
81 2HB ARG 26 1HB ARG 26 10.315 0.889 1.711
82 1HG ARG 26 2HG ARG 26 11.158 3.566 0.742
83 2HG ARG 26 1HG ARG 26 10.230 3.463 2.235
84 1HD ARG 26 2HD ARG 26 12.633 3.437 2.675
85 2HD ARG 26 1HD ARG 26 11.866 1.934 3.176
86 HE ARG 26 HE ARG 26 12.734 1.328 0.711
87 1HH1 ARG 26 1HH1 ARG 26 14.301 2.820 3.441
88 2HH1 ARG 26 2HH1 ARG 26 15.873 2.221 3.030
89 1HH2 ARG 26 1HH2 ARG 26 14.803 0.532 0.163
90 2HH2 ARG 26 2HH2 ARG 26 16.158 0.920 1.168
91 H THR 27 H THR 27 9.059 -0.734 -0.137
92 HA THR 27 HA THR 27 7.353 0.037 -2.413
93 HB THR 27 HB THR 27 7.722 -2.719 -1.218
94 HG1 THR 27 1HG THR 27 8.508 -2.381 -3.803
95 1HG2 THR 27 1HG2 THR 27 6.490 -3.488 -3.196
96 2HG2 THR 27 2HG2 THR 27 6.262 -1.815 -3.704
97 3HG2 THR 27 3HG2 THR 27 5.514 -2.395 -2.218
98 H TYR 28 H TYR 28 5.551 1.022 -1.710
99 HA TYR 28 HA TYR 28 4.281 -0.036 0.729
100 1HB TYR 28 2HB TYR 28 3.618 2.105 1.372
101 2HB TYR 28 1HB TYR 28 5.238 2.365 0.735
102 HD1 TYR 28 1HD TYR 28 5.499 3.354 -1.561
103 HD2 TYR 28 2HD TYR 28 1.736 3.165 0.414
104 HE1 TYR 28 1HE TYR 28 4.621 5.080 -3.077
105 HE2 TYR 28 2HE TYR 28 0.846 4.886 -1.100
106 HH TYR 28 HH TYR 28 1.653 6.678 -2.532
107 H TYR 29 H TYR 29 1.891 0.299 0.828
108 HA TYR 29 HA TYR 29 0.649 0.170 -1.838
109 1HB TYR 29 2HB TYR 29 0.158 -1.750 0.450
110 2HB TYR 29 1HB TYR 29 -0.797 -1.686 -1.027
111 HD1 TYR 29 1HD TYR 29 2.690 -2.199 0.183
112 HD2 TYR 29 2HD TYR 29 -0.167 -2.969 -2.873
113 HE1 TYR 29 1HE TYR 29 4.264 -3.749 -0.889
114 HE2 TYR 29 2HE TYR 29 1.399 -4.523 -3.955
115 HH TYR 29 HH TYR 29 3.839 -4.919 -4.035
116 H TYR 30 H TYR 30 -1.569 0.758 -1.916
117 HA TYR 30 HA TYR 30 -2.428 2.359 0.405
118 1HB TYR 30 2HB TYR 30 -1.996 3.659 -1.664
119 2HB TYR 30 1HB TYR 30 -3.217 2.704 -2.495
120 HD1 TYR 30 1HD TYR 30 -5.614 2.803 -1.589
121 HD2 TYR 30 2HD TYR 30 -2.600 5.601 -0.503
122 HE1 TYR 30 1HE TYR 30 -7.352 4.384 -0.862
123 HE2 TYR 30 2HE TYR 30 -4.331 7.184 0.236
124 HH TYR 30 HH TYR 30 -7.597 6.295 0.625
125 H ASN 31 H ASN 31 -4.240 1.839 1.415
126 HA ASN 31 HA ASN 31 -5.840 -0.374 0.393
127 1HB ASN 31 2HB ASN 31 -4.995 -0.340 2.763
128 2HB ASN 31 1HB ASN 31 -6.054 1.031 3.061
129 1HD2 ASN 31 1HD2 ASN 31 -7.213 -0.096 4.615
130 2HD2 ASN 31 2HD2 ASN 31 -8.332 -1.345 4.200
131 H THR 32 H THR 32 -7.394 0.245 -1.000
132 HA THR 32 HA THR 32 -8.727 2.801 -0.654
133 HB THR 32 HB THR 32 -8.142 2.135 -2.923
134 HG1 THR 32 1HG THR 32 -10.250 2.441 -3.832
135 1HG2 THR 32 1HG2 THR 32 -10.075 -0.152 -2.547
136 2HG2 THR 32 2HG2 THR 32 -8.320 -0.305 -2.620
137 3HG2 THR 32 3HG2 THR 32 -9.214 0.257 -4.031
138 H GLU 33 H GLU 33 -9.039 0.031 0.887
139 HA GLU 33 HA GLU 33 -11.941 -0.207 0.784
140 1HB GLU 33 2HB GLU 33 -10.524 -2.244 0.876
141 2HB GLU 33 1HB GLU 33 -9.933 -1.738 2.452
142 1HG GLU 33 2HG GLU 33 -12.193 -1.890 3.355
143 2HG GLU 33 1HG GLU 33 -12.794 -2.385 1.773
144 H THR 34 H THR 34 -9.604 -0.057 3.475
145 HA THR 34 HA THR 34 -11.546 1.177 5.203
146 HB THR 34 HB THR 34 -8.578 0.849 5.697
147 HG1 THR 34 1HG THR 34 -8.968 -1.191 6.171
148 1HG2 THR 34 1HG2 THR 34 -9.261 0.872 8.071
149 2HG2 THR 34 2HG2 THR 34 -10.921 1.198 7.573
150 3HG2 THR 34 3HG2 THR 34 -9.653 2.381 7.246
151 H LYS 35 H LYS 35 -9.291 2.211 2.913
152 HA LYS 35 HA LYS 35 -8.812 4.261 2.061
153 1HB LYS 35 2HB LYS 35 -10.549 5.391 4.263
154 2HB LYS 35 1HB LYS 35 -9.963 6.260 2.851
155 1HG LYS 35 2HG LYS 35 -11.285 4.869 1.392
156 2HG LYS 35 1HG LYS 35 -11.801 3.876 2.757
157 1HD LYS 35 2HD LYS 35 -12.935 5.796 3.742
158 2HD LYS 35 1HD LYS 35 -12.386 6.818 2.411
159 1HE LYS 35 2HE LYS 35 -13.659 5.476 0.831
160 2HE LYS 35 1HE LYS 35 -14.172 4.403 2.132
161 1HZ LYS 35 1HZ LYS 35 -14.820 7.296 1.946
162 2HZ LYS 35 2HZ LYS 35 -15.346 6.236 3.154
163 3HZ LYS 35 3HZ LYS 35 -15.876 6.031 1.562
164 H GLN 36 H GLN 36 -6.719 3.494 2.987
165 HA GLN 36 HA GLN 36 -5.490 5.661 4.393
166 1HB GLN 36 2HB GLN 36 -5.086 4.768 6.449
167 2HB GLN 36 1HB GLN 36 -6.594 3.933 6.109
168 1HG GLN 36 2HG GLN 36 -5.069 2.082 5.132
169 2HG GLN 36 1HG GLN 36 -3.799 2.885 6.044
170 1HE2 GLN 36 1HE2 GLN 36 -3.809 2.814 8.232
171 2HE2 GLN 36 2HE2 GLN 36 -4.828 1.763 9.150
172 H SER 37 H SER 37 -3.118 5.253 4.697
173 HA SER 37 HA SER 37 -2.130 3.599 2.478
174 1HB SER 37 2HB SER 37 -0.747 5.864 3.943
175 2HB SER 37 1HB SER 37 -0.138 5.020 2.518
176 HG SER 37 HG SER 37 -1.434 6.151 1.293
177 H THR 38 H THR 38 -0.622 2.002 2.825
178 HA THR 38 HA THR 38 0.267 1.608 5.600
179 HB THR 38 HB THR 38 -1.683 0.152 5.116
180 HG1 THR 38 1HG THR 38 -0.644 -1.734 5.906
181 1HG2 THR 38 1HG2 THR 38 -1.331 -0.222 2.739
182 2HG2 THR 38 2HG2 THR 38 -1.361 -1.766 3.590
183 3HG2 THR 38 3HG2 THR 38 0.177 -1.075 3.070
184 H TRP 39 H TRP 39 2.064 0.166 5.866
185 HA TRP 39 HA TRP 39 3.986 0.329 3.636
186 1HB TRP 39 2HB TRP 39 4.300 0.133 6.633
187 2HB TRP 39 1HB TRP 39 5.639 -0.179 5.538
188 HD1 TRP 39 HD TRP 39 3.843 2.608 7.269
189 HE1 TRP 39 1HE TRP 39 4.863 4.868 6.561
190 HE3 TRP 39 3HE TRP 39 6.681 1.006 3.345
191 HZ2 TRP 39 2HZ TRP 39 6.648 5.835 4.583
192 HZ3 TRP 39 3HZ TRP 39 8.008 2.646 2.101
193 HH2 TRP 39 HH TRP 39 7.999 5.011 2.705
194 H GLU 40 H GLU 40 5.403 -1.452 3.269
195 HA GLU 40 HA GLU 40 5.897 -3.631 2.879
196 1HB GLU 40 2HB GLU 40 6.097 -3.714 5.344
197 2HB GLU 40 1HB GLU 40 4.395 -4.146 5.452
198 1HG GLU 40 2HG GLU 40 4.858 -6.192 4.167
199 2HG GLU 40 1HG GLU 40 6.569 -5.765 4.138
200 H LYS 41 H LYS 41 5.073 -5.439 1.899
201 HA LYS 41 HA LYS 41 2.738 -5.280 0.484
202 1HB LYS 41 2HB LYS 41 4.140 -7.797 1.399
203 2HB LYS 41 1HB LYS 41 2.956 -7.716 0.103
204 1HG LYS 41 2HG LYS 41 4.413 -6.367 -1.231
205 2HG LYS 41 1HG LYS 41 5.561 -6.212 0.099
206 1HD LYS 41 2HD LYS 41 5.988 -8.613 0.022
207 2HD LYS 41 1HD LYS 41 4.816 -8.789 -1.286
208 1HE LYS 41 2HE LYS 41 7.133 -8.741 -2.110
209 2HE LYS 41 1HE LYS 41 6.175 -7.398 -2.731
210 1HZ LYS 41 1HZ LYS 41 7.170 -5.958 -1.073
211 2HZ LYS 41 2HZ LYS 41 8.374 -6.681 -2.017
212 3HZ LYS 41 3HZ LYS 41 8.074 -7.248 -0.451
213 HA PRO 42 HA PRO 42 -0.412 -6.183 3.491
214 1HB PRO 42 2HB PRO 42 -2.527 -6.408 1.858
215 2HB PRO 42 1HB PRO 42 -1.731 -4.852 2.133
216 1HG PRO 42 2HG PRO 42 -1.451 -6.742 -0.172
217 2HG PRO 42 1HG PRO 42 -1.595 -4.976 -0.187
218 1HD PRO 42 2HD PRO 42 0.785 -6.311 -0.418
219 2HD PRO 42 1HD PRO 42 0.636 -4.669 0.237
220 HA PRO 5 HA PRO 5 -1.465 8.102 -7.500
221 1HB PRO 5 2HB PRO 5 0.663 9.681 -6.349
222 2HB PRO 5 1HB PRO 5 0.733 8.576 -7.723
223 1HG PRO 5 2HG PRO 5 1.026 11.291 -7.930
224 2HG PRO 5 1HG PRO 5 0.445 10.254 -9.244
225 1HD PRO 5 2HD PRO 5 -1.112 11.984 -7.362
226 2HD PRO 5 1HD PRO 5 -1.353 11.705 -9.101
227 HA PRO 6 HA PRO 6 -2.788 8.404 -3.274
228 1HB PRO 6 2HB PRO 6 -1.414 5.966 -2.592
229 2HB PRO 6 1HB PRO 6 -3.136 6.216 -2.877
230 1HG PRO 6 2HG PRO 6 -1.505 4.756 -4.512
231 2HG PRO 6 1HG PRO 6 -3.004 5.534 -5.043
232 1HD PRO 6 2HD PRO 6 -0.171 6.437 -5.396
233 2HD PRO 6 1HD PRO 6 -1.543 6.553 -6.521
234 HA PRO 7 HA PRO 7 0.654 10.011 -1.007
235 1HB PRO 7 2HB PRO 7 -0.440 10.248 1.430
236 2HB PRO 7 1HB PRO 7 -0.969 11.250 0.074
237 1HG PRO 7 2HG PRO 7 -2.253 8.824 1.253
238 2HG PRO 7 1HG PRO 7 -3.005 10.317 0.667
239 1HD PRO 7 2HD PRO 7 -2.864 7.961 -0.770
240 2HD PRO 7 1HD PRO 7 -3.065 9.574 -1.490
241 H LEU 8 H LEU 8 2.302 9.402 0.369
242 HA LEU 8 HA LEU 8 2.534 6.587 0.893
243 1HB LEU 8 2HB LEU 8 4.417 7.945 0.101
244 2HB LEU 8 1HB LEU 8 4.345 8.915 1.562
245 HG LEU 8 HG LEU 8 4.800 6.672 2.783
246 1HD1 LEU 8 1HD1 LEU 8 5.902 4.994 1.524
247 2HD1 LEU 8 2HD1 LEU 8 5.938 6.005 0.083
248 3HD1 LEU 8 3HD1 LEU 8 4.405 5.365 0.676
249 1HD2 LEU 8 1HD2 LEU 8 6.907 8.037 1.110
250 2HD2 LEU 8 2HD2 LEU 8 7.219 6.992 2.496
251 3HD2 LEU 8 3HD2 LEU 8 6.372 8.523 2.719
252 HA PRO 9 HA PRO 9 1.188 6.751 5.136
253 1HB PRO 9 2HB PRO 9 2.596 4.333 5.793
254 2HB PRO 9 1HB PRO 9 0.877 4.540 5.463
255 1HG PRO 9 2HG PRO 9 2.633 3.169 3.841
256 2HG PRO 9 1HG PRO 9 1.092 3.855 3.307
257 1HD PRO 9 2HD PRO 9 3.861 4.904 2.960
258 2HD PRO 9 1HD PRO 9 2.471 4.992 1.858
259 HA PRO 10 HA PRO 10 4.676 8.307 7.409
260 1HB PRO 10 2HB PRO 10 3.574 8.599 9.839
261 2HB PRO 10 1HB PRO 10 3.090 9.615 8.476
262 1HG PRO 10 2HG PRO 10 1.720 7.223 9.639
263 2HG PRO 10 1HG PRO 10 1.019 8.752 9.077
264 1HD PRO 10 2HD PRO 10 1.049 6.435 7.600
265 2HD PRO 10 1HD PRO 10 0.966 8.061 6.896
Start of MODEL 15
1 H SER 15 H SER 15 -10.609 -7.899 -1.584
2 HA SER 15 HA SER 15 -7.900 -7.102 -1.553
3 1HB SER 15 2HB SER 15 -8.914 -8.325 -3.438
4 2HB SER 15 1HB SER 15 -9.907 -6.918 -3.811
5 HG SER 15 HG SER 15 -7.298 -6.240 -3.631
6 H MET 16 H MET 16 -9.142 -5.089 -3.839
7 HA MET 16 HA MET 16 -9.296 -2.832 -4.045
8 1HB MET 16 2HB MET 16 -10.097 -2.961 -1.129
9 2HB MET 16 1HB MET 16 -10.286 -1.565 -2.172
10 1HG MET 16 2HG MET 16 -11.632 -4.228 -2.543
11 2HG MET 16 1HG MET 16 -12.380 -2.775 -1.883
12 1HE MET 16 1HE MET 16 -13.753 -4.322 -4.217
13 2HE MET 16 2HE MET 16 -14.165 -3.018 -5.329
14 3HE MET 16 3HE MET 16 -14.369 -2.792 -3.592
15 H TRP 17 H TRP 17 -6.808 -3.558 -3.965
16 HA TRP 17 HA TRP 17 -5.492 -1.652 -2.145
17 1HB TRP 17 2HB TRP 17 -4.618 -4.454 -2.845
18 2HB TRP 17 1HB TRP 17 -3.521 -3.262 -2.164
19 HD1 TRP 17 HD TRP 17 -6.426 -5.544 -1.224
20 HE1 TRP 17 1HE TRP 17 -6.629 -5.609 1.340
21 HE3 TRP 17 3HE TRP 17 -3.091 -1.845 -0.044
22 HZ2 TRP 17 2HZ TRP 17 -5.523 -4.279 3.566
23 HZ3 TRP 17 3HZ TRP 17 -2.723 -1.311 2.325
24 HH2 TRP 17 HH TRP 17 -3.913 -2.501 4.094
25 H THR 18 H THR 18 -3.534 -0.732 -2.912
26 HA THR 18 HA THR 18 -3.045 -1.032 -5.801
27 HB THR 18 HB THR 18 -2.557 1.385 -5.945
28 HG1 THR 18 1HG THR 18 -3.784 2.368 -3.861
29 1HG2 THR 18 1HG2 THR 18 -4.875 2.182 -5.840
30 2HG2 THR 18 2HG2 THR 18 -5.320 0.762 -4.894
31 3HG2 THR 18 3HG2 THR 18 -4.781 0.576 -6.563
32 H GLU 19 H GLU 19 -0.895 -1.002 -6.428
33 HA GLU 19 HA GLU 19 1.024 -1.129 -4.209
34 1HB GLU 19 2HB GLU 19 0.785 -3.155 -5.604
35 2HB GLU 19 1HB GLU 19 1.290 -2.229 -7.010
36 1HG GLU 19 2HG GLU 19 3.460 -1.824 -5.968
37 2HG GLU 19 1HG GLU 19 2.952 -2.747 -4.554
38 H HIS 20 H HIS 20 2.561 0.318 -3.984
39 HA HIS 20 HA HIS 20 3.603 1.791 -6.269
40 1HB HIS 20 2HB HIS 20 2.270 3.116 -3.903
41 2HB HIS 20 1HB HIS 20 3.367 3.964 -4.987
42 HD1 HIS 20 1HD HIS 20 2.517 4.445 -7.396
43 HD2 HIS 20 2HD HIS 20 -0.282 2.632 -4.916
44 HE1 HIS 20 1HE HIS 20 0.314 4.675 -8.588
45 HE2 HIS 20 2HE HIS 20 -1.356 3.518 -7.096
46 H LYS 21 H LYS 21 5.462 3.299 -5.418
47 HA LYS 21 HA LYS 21 6.858 1.832 -3.283
48 1HB LYS 21 2HB LYS 21 8.540 1.324 -4.646
49 2HB LYS 21 1HB LYS 21 7.584 1.948 -5.980
50 1HG LYS 21 2HG LYS 21 8.589 4.174 -5.612
51 2HG LYS 21 1HG LYS 21 9.593 3.477 -4.339
52 1HD LYS 21 2HD LYS 21 10.610 1.961 -5.958
53 2HD LYS 21 1HD LYS 21 9.588 2.624 -7.234
54 1HE LYS 21 2HE LYS 21 11.649 4.148 -5.643
55 2HE LYS 21 1HE LYS 21 11.838 3.582 -7.302
56 1HZ LYS 21 1HZ LYS 21 10.001 5.009 -7.958
57 2HZ LYS 21 2HZ LYS 21 11.226 5.916 -7.227
58 3HZ LYS 21 3HZ LYS 21 9.816 5.548 -6.365
59 H SER 22 H SER 22 7.650 2.953 -1.657
60 HA SER 22 HA SER 22 7.215 5.679 -1.280
61 1HB SER 22 2HB SER 22 7.532 4.148 0.593
62 2HB SER 22 1HB SER 22 9.186 3.832 0.085
63 HG SER 22 HG SER 22 8.166 5.933 1.505
64 HA PRO 23 HA PRO 23 10.293 7.902 -3.493
65 1HB PRO 23 2HB PRO 23 10.904 9.230 -0.889
66 2HB PRO 23 1HB PRO 23 10.566 9.949 -2.468
67 1HG PRO 23 2HG PRO 23 8.693 9.944 -0.597
68 2HG PRO 23 1HG PRO 23 8.269 9.591 -2.284
69 1HD PRO 23 2HD PRO 23 8.581 7.722 0.026
70 2HD PRO 23 1HD PRO 23 7.401 7.683 -1.296
71 H ASP 24 H ASP 24 11.490 7.258 -0.183
72 HA ASP 24 HA ASP 24 14.189 7.230 -0.717
73 1HB ASP 24 2HB ASP 24 13.279 7.104 1.551
74 2HB ASP 24 1HB ASP 24 12.697 5.472 1.239
75 H GLY 25 H GLY 25 11.815 4.903 -1.611
76 1HA GLY 25 2HA GLY 25 12.409 3.461 -3.499
77 2HA GLY 25 1HA GLY 25 13.950 3.185 -2.707
78 H ARG 26 H ARG 26 10.687 3.163 -1.316
79 HA ARG 26 HA ARG 26 11.164 0.346 -0.559
80 1HB ARG 26 2HB ARG 26 9.727 2.553 0.885
81 2HB ARG 26 1HB ARG 26 9.433 0.864 1.262
82 1HG ARG 26 2HG ARG 26 11.028 1.344 2.790
83 2HG ARG 26 1HG ARG 26 12.050 0.798 1.465
84 1HD ARG 26 2HD ARG 26 12.984 2.819 2.360
85 2HD ARG 26 1HD ARG 26 12.315 3.166 0.766
86 HE ARG 26 HE ARG 26 10.368 4.120 1.963
87 1HH1 ARG 26 1HH1 ARG 26 13.427 3.822 3.610
88 2HH1 ARG 26 2HH1 ARG 26 13.091 5.097 4.734
89 1HH2 ARG 26 1HH2 ARG 26 9.919 5.796 3.441
90 2HH2 ARG 26 2HH2 ARG 26 11.097 6.218 4.639
91 H THR 27 H THR 27 9.117 -0.934 -0.264
92 HA THR 27 HA THR 27 7.243 -0.259 -2.428
93 HB THR 27 HB THR 27 7.752 -2.944 -1.121
94 HG1 THR 27 1HG THR 27 8.391 -2.162 -3.776
95 1HG2 THR 27 1HG2 THR 27 5.463 -2.743 -1.947
96 2HG2 THR 27 2HG2 THR 27 6.395 -3.845 -2.961
97 3HG2 THR 27 3HG2 THR 27 6.065 -2.202 -3.515
98 H TYR 28 H TYR 28 5.586 0.870 -1.572
99 HA TYR 28 HA TYR 28 4.364 -0.169 0.898
100 1HB TYR 28 2HB TYR 28 3.771 1.988 1.549
101 2HB TYR 28 1HB TYR 28 5.362 2.222 0.832
102 HD1 TYR 28 1HD TYR 28 1.855 3.065 0.671
103 HD2 TYR 28 2HD TYR 28 5.525 3.198 -1.479
104 HE1 TYR 28 1HE TYR 28 0.915 4.788 -0.811
105 HE2 TYR 28 2HE TYR 28 4.596 4.923 -2.966
106 HH TYR 28 HH TYR 28 1.649 6.550 -2.300
107 H TYR 29 H TYR 29 1.985 0.205 1.068
108 HA TYR 29 HA TYR 29 0.685 0.009 -1.567
109 1HB TYR 29 2HB TYR 29 0.114 -1.731 0.842
110 2HB TYR 29 1HB TYR 29 -0.798 -1.750 -0.664
111 HD1 TYR 29 1HD TYR 29 2.514 -2.460 0.829
112 HD2 TYR 29 2HD TYR 29 -0.035 -2.986 -2.536
113 HE1 TYR 29 1HE TYR 29 4.075 -4.125 -0.086
114 HE2 TYR 29 2HE TYR 29 1.519 -4.654 -3.459
115 HH TYR 29 HH TYR 29 3.903 -5.249 -3.277
116 H TYR 30 H TYR 30 -1.549 0.577 -1.611
117 HA TYR 30 HA TYR 30 -2.423 2.227 0.665
118 1HB TYR 30 2HB TYR 30 -1.687 3.768 -1.021
119 2HB TYR 30 1HB TYR 30 -2.543 2.891 -2.280
120 HD1 TYR 30 1HD TYR 30 -2.783 5.424 0.298
121 HD2 TYR 30 2HD TYR 30 -5.032 2.993 -2.372
122 HE1 TYR 30 1HE TYR 30 -4.724 6.896 0.603
123 HE2 TYR 30 2HE TYR 30 -6.982 4.461 -2.073
124 HH TYR 30 HH TYR 30 -6.784 7.507 -0.647
125 H ASN 31 H ASN 31 -4.289 1.564 1.463
126 HA ASN 31 HA ASN 31 -5.910 -0.336 0.001
127 1HB ASN 31 2HB ASN 31 -5.402 -0.589 2.444
128 2HB ASN 31 1HB ASN 31 -6.391 0.834 2.748
129 1HD2 ASN 31 1HD2 ASN 31 -7.808 -0.350 4.026
130 2HD2 ASN 31 2HD2 ASN 31 -8.954 -1.451 3.346
131 H THR 32 H THR 32 -7.456 0.305 -1.346
132 HA THR 32 HA THR 32 -8.548 2.986 -1.152
133 HB THR 32 HB THR 32 -8.004 2.196 -3.374
134 HG1 THR 32 1HG THR 32 -10.735 2.041 -3.647
135 1HG2 THR 32 1HG2 THR 32 -8.247 -0.198 -3.043
136 2HG2 THR 32 2HG2 THR 32 -9.242 0.323 -4.401
137 3HG2 THR 32 3HG2 THR 32 -9.989 -0.016 -2.841
138 H GLU 33 H GLU 33 -9.223 0.090 0.265
139 HA GLU 33 HA GLU 33 -12.114 0.273 0.183
140 1HB GLU 33 2HB GLU 33 -11.036 -1.933 0.260
141 2HB GLU 33 1HB GLU 33 -10.295 -1.525 1.801
142 1HG GLU 33 2HG GLU 33 -12.202 -2.950 2.152
143 2HG GLU 33 1HG GLU 33 -12.523 -1.346 2.811
144 H THR 34 H THR 34 -9.556 0.581 2.629
145 HA THR 34 HA THR 34 -11.429 1.804 4.498
146 HB THR 34 HB THR 34 -8.474 1.251 4.864
147 HG1 THR 34 1HG THR 34 -10.741 -0.350 5.106
148 1HG2 THR 34 1HG2 THR 34 -8.997 1.438 7.264
149 2HG2 THR 34 2HG2 THR 34 -10.656 1.882 6.857
150 3HG2 THR 34 3HG2 THR 34 -9.323 2.942 6.399
151 H LYS 35 H LYS 35 -9.145 2.670 2.140
152 HA LYS 35 HA LYS 35 -8.493 4.672 1.287
153 1HB LYS 35 2HB LYS 35 -10.256 5.948 3.389
154 2HB LYS 35 1HB LYS 35 -9.609 6.726 1.953
155 1HG LYS 35 2HG LYS 35 -11.500 4.390 1.873
156 2HG LYS 35 1HG LYS 35 -12.015 6.077 1.818
157 1HD LYS 35 2HD LYS 35 -10.665 6.407 -0.207
158 2HD LYS 35 1HD LYS 35 -10.186 4.709 -0.155
159 1HE LYS 35 2HE LYS 35 -12.016 5.117 -1.748
160 2HE LYS 35 1HE LYS 35 -12.486 4.017 -0.453
161 1HZ LYS 35 1HZ LYS 35 -13.143 6.910 -0.597
162 2HZ LYS 35 2HZ LYS 35 -13.578 5.869 0.663
163 3HZ LYS 35 3HZ LYS 35 -14.216 5.635 -0.887
164 H GLN 36 H GLN 36 -6.556 3.710 2.480
165 HA GLN 36 HA GLN 36 -5.278 5.882 3.878
166 1HB GLN 36 2HB GLN 36 -4.660 4.516 5.846
167 2HB GLN 36 1HB GLN 36 -6.393 4.808 5.744
168 1HG GLN 36 2HG GLN 36 -6.772 2.598 4.892
169 2HG GLN 36 1HG GLN 36 -5.035 2.294 4.801
170 1HE2 GLN 36 1HE2 GLN 36 -4.491 3.623 7.330
171 2HE2 GLN 36 2HE2 GLN 36 -5.042 2.556 8.571
172 H SER 37 H SER 37 -2.987 5.376 4.360
173 HA SER 37 HA SER 37 -1.893 3.563 2.328
174 1HB SER 37 2HB SER 37 0.010 5.328 3.603
175 2HB SER 37 1HB SER 37 -0.334 5.116 1.896
176 HG SER 37 HG SER 37 -1.391 6.916 1.975
177 H THR 38 H THR 38 -0.237 2.094 2.879
178 HA THR 38 HA THR 38 0.357 1.800 5.726
179 HB THR 38 HB THR 38 -1.653 0.399 5.203
180 HG1 THR 38 1HG THR 38 -0.435 -1.630 5.982
181 1HG2 THR 38 1HG2 THR 38 0.315 -1.152 3.510
182 2HG2 THR 38 2HG2 THR 38 -1.059 -0.222 2.909
183 3HG2 THR 38 3HG2 THR 38 -1.329 -1.653 3.905
184 H TRP 39 H TRP 39 2.126 0.392 6.196
185 HA TRP 39 HA TRP 39 4.097 0.262 4.010
186 1HB TRP 39 2HB TRP 39 4.356 0.359 7.016
187 2HB TRP 39 1HB TRP 39 5.702 -0.091 5.980
188 HD1 TRP 39 HD TRP 39 3.974 2.887 7.414
189 HE1 TRP 39 1HE TRP 39 5.052 5.044 6.503
190 HE3 TRP 39 3HE TRP 39 6.792 0.849 3.679
191 HZ2 TRP 39 2HZ TRP 39 6.864 5.775 4.448
192 HZ3 TRP 39 3HZ TRP 39 8.167 2.337 2.293
193 HH2 TRP 39 HH TRP 39 8.207 4.744 2.678
194 H GLU 40 H GLU 40 5.498 -1.610 3.913
195 HA GLU 40 HA GLU 40 5.923 -3.835 3.786
196 1HB GLU 40 2HB GLU 40 6.046 -3.715 6.224
197 2HB GLU 40 1HB GLU 40 4.307 -3.947 6.337
198 1HG GLU 40 2HG GLU 40 4.515 -6.171 5.401
199 2HG GLU 40 1HG GLU 40 6.252 -5.943 5.202
200 H LYS 41 H LYS 41 5.104 -5.553 2.717
201 HA LYS 41 HA LYS 41 2.626 -5.355 1.461
202 1HB LYS 41 2HB LYS 41 3.014 -7.673 0.711
203 2HB LYS 41 1HB LYS 41 4.437 -6.659 0.513
204 1HG LYS 41 2HG LYS 41 5.449 -7.632 2.479
205 2HG LYS 41 1HG LYS 41 3.994 -8.580 2.789
206 1HD LYS 41 2HD LYS 41 4.312 -9.723 0.627
207 2HD LYS 41 1HD LYS 41 5.803 -8.812 0.386
208 1HE LYS 41 2HE LYS 41 5.240 -10.740 2.636
209 2HE LYS 41 1HE LYS 41 6.260 -11.056 1.233
210 1HZ LYS 41 1HZ LYS 41 6.756 -8.983 3.302
211 2HZ LYS 41 2HZ LYS 41 7.732 -9.275 1.951
212 3HZ LYS 41 3HZ LYS 41 7.581 -10.454 3.155
213 HA PRO 42 HA PRO 42 0.002 -6.911 4.738
214 1HB PRO 42 2HB PRO 42 -2.352 -6.699 3.475
215 2HB PRO 42 1HB PRO 42 -1.456 -5.267 3.998
216 1HG PRO 42 2HG PRO 42 -1.620 -6.508 1.277
217 2HG PRO 42 1HG PRO 42 -1.709 -4.796 1.731
218 1HD PRO 42 2HD PRO 42 0.561 -5.998 0.785
219 2HD PRO 42 1HD PRO 42 0.569 -4.586 1.861
220 HA PRO 5 HA PRO 5 -1.629 7.872 -7.365
221 1HB PRO 5 2HB PRO 5 0.367 9.634 -6.253
222 2HB PRO 5 1HB PRO 5 0.505 8.567 -7.649
223 1HG PRO 5 2HG PRO 5 0.520 11.305 -7.801
224 2HG PRO 5 1HG PRO 5 0.029 10.239 -9.128
225 1HD PRO 5 2HD PRO 5 -1.665 11.773 -7.197
226 2HD PRO 5 1HD PRO 5 -1.910 11.483 -8.934
227 HA PRO 6 HA PRO 6 -2.882 8.059 -3.096
228 1HB PRO 6 2HB PRO 6 -1.302 5.683 -2.553
229 2HB PRO 6 1HB PRO 6 -3.054 5.850 -2.666
230 1HG PRO 6 2HG PRO 6 -1.601 4.481 -4.491
231 2HG PRO 6 1HG PRO 6 -3.097 5.339 -4.900
232 1HD PRO 6 2HD PRO 6 -0.251 6.225 -5.283
233 2HD PRO 6 1HD PRO 6 -1.621 6.328 -6.414
234 HA PRO 7 HA PRO 7 0.556 9.827 -0.929
235 1HB PRO 7 2HB PRO 7 -0.497 10.059 1.524
236 2HB PRO 7 1HB PRO 7 -1.096 11.022 0.168
237 1HG PRO 7 2HG PRO 7 -2.256 8.563 1.405
238 2HG PRO 7 1HG PRO 7 -3.079 10.019 0.821
239 1HD PRO 7 2HD PRO 7 -2.879 7.653 -0.588
240 2HD PRO 7 1HD PRO 7 -3.164 9.245 -1.324
241 H LEU 8 H LEU 8 2.259 9.269 0.414
242 HA LEU 8 HA LEU 8 2.547 6.467 0.987
243 1HB LEU 8 2HB LEU 8 4.415 7.786 0.135
244 2HB LEU 8 1HB LEU 8 4.333 8.848 1.529
245 HG LEU 8 HG LEU 8 4.830 6.686 2.888
246 1HD1 LEU 8 1HD1 LEU 8 4.483 5.278 0.811
247 2HD1 LEU 8 2HD1 LEU 8 5.933 4.951 1.754
248 3HD1 LEU 8 3HD1 LEU 8 6.046 5.884 0.263
249 1HD2 LEU 8 1HD2 LEU 8 6.347 8.587 2.699
250 2HD2 LEU 8 2HD2 LEU 8 6.920 7.986 1.144
251 3HD2 LEU 8 3HD2 LEU 8 7.231 7.063 2.615
252 HA PRO 9 HA PRO 9 1.250 6.725 5.232
253 1HB PRO 9 2HB PRO 9 2.685 4.364 5.977
254 2HB PRO 9 1HB PRO 9 0.971 4.520 5.603
255 1HG PRO 9 2HG PRO 9 2.824 3.150 4.067
256 2HG PRO 9 1HG PRO 9 1.251 3.728 3.498
257 1HD PRO 9 2HD PRO 9 3.959 4.886 3.090
258 2HD PRO 9 1HD PRO 9 2.551 4.889 2.010
259 HA PRO 10 HA PRO 10 4.696 8.449 7.438
260 1HB PRO 10 2HB PRO 10 3.642 8.660 9.907
261 2HB PRO 10 1HB PRO 10 3.101 9.681 8.570
262 1HG PRO 10 2HG PRO 10 1.834 7.217 9.704
263 2HG PRO 10 1HG PRO 10 1.072 8.737 9.203
264 1HD PRO 10 2HD PRO 10 1.112 6.486 7.654
265 2HD PRO 10 1HD PRO 10 1.033 8.129 6.992
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